bluuebunny/crossref_metadata_2025 huggingface dataset:
Interval estimation for inverse Gaussian distribution
Authors: Wang Xiaofei , Wang Bing Xing , Pan Xin , Hu Yunkai , Chen Yingpei , Zhou Junxing
Published: February 2021

In this paper, we consider interval estimation for the inverse Gaussian (IG) distribution. Using generalized pivotal quantity method, we derive the generalized confidence intervals (GCIs) for the model parameters and some quantities such as the quantile, the reliability function of the lifetime, the failure rate function, and the mean residual lifetime. We verify that the GCI of the scale parameter is the same as its commonly used exact CI. We also obtain the generalized prediction intervals (GPIs) for future failure times based on the observed failure data set. In addition, we get the GCI for the reliability of the stress–strength model when the stress and strength variables follow the IG distributions with different parameters. We compare the proposed GCIs and GPIs with the Wald CIs and bootstrap‐ CIs by simulation. The simulation results show that the proposed GCIs and GPIs are superior to the Wald CIs and the bootstrap‐pCIs in terms of the coverage probability. Finally, two examples are used to illustrate the proposed procedures.
Ro‐vibrational energy and thermodynamic properties of molecules subjected to Deng–Fan potential through an improved approximation
Authors: Nath Debraj , Roy Amlan K.
Published: February 2021

Accurate solution of the Schrödinger equation with Deng–Fan potential is presented by means of Nikiforov–Uvarov method. A modified Pekeris‐type approximation is proposed for the centrifugal term, from a linear combination of the r → 0 and r → re limits. It can potentially offer a series of approximations (depending on an adjustable parameter λ). The existing approximations in the literature can then be recovered in certain special cases. Its efficiency and feasibility is demonstrated by a critical comparison of eigenvalues produced at various λ's for four molecules, namely, H2, LiH, HCl and CO. Analytical expressions are derived for energies, eigenfunctions and the thermodynamic properties such as vibrational mean free energy, vibrational free energy, vibrational entropy and vibrational specific heat. The effect of quantum correction on partition function and thermodynamic properties is discussed by including the correction up to 10th‐order, for H2 and LiH. The effect of λ parameter on these properties is also studied.
On the second maximum Wiener polarity index of chemical trees of a fixed order
Authors: Ali Akbar , Du Zhibin , Zaineb Syeda Sifwa , Alraqad Tariq
Published: February 2021

The Wiener polarity indexWpof a graph is defined as the number of unordered pairs of its vertices at distance 3. The problem of finding trees attaining the maximumWpvalue, among all chemical trees of a fixed ordern, was solved in the paper (Mol.Inf.2019,38, 1800076) forn ≥ 8. Motivated by the usage ofWpin a recent publication (J.Chem.Inf.Model.2020,60, 1224–1234), in this article we extend the work done in the aforementioned paper by giving a further ordering of chemical trees with respect to the maximum value ofWp. More precisely, we characterize the trees having the second maximumWpvalue (which is3n − 16) from the class of all chemical trees of a fixed ordern, forn ≥ 9.
A safety preserving control architecture for cyber‐physical systems
Authors: Gheitasi Kian , Lucia Walter
Published: February 2021

In this article, we propose a networked control architecture to ensure the plant's safety in the presence of cyber‐attacks on the communication channels. In particular, we consider systems subject to both state and input constraints that must be preserved for safety reasons despite any admissible attack scenario. To this end, first, two different detectors are proposed to detect attacks on the setpoint signal as well as on the control inputs and sensor measurements. Then, an emergency controller (EC), local to the plant, is designed to replace the networked controller whenever an attack is detected. Finally, the concept of robust N‐step attack‐safe region is introduced to ensure that the EC is activated, regardless of the detector performance, at least one‐step before the safety constraints are violated. It is formally proved that the plant trajectory is uniformly ultimately bounded in an admissible region regardless of the attacker's actions and duration. Finally, by considering a continuous‐stirred tank reactor system, numerical simulations are presented to show the proposed solution's capabilities.
Distributed hybrid impulsive algorithm with supervisory resetting for nonlinear optimization problems
Authors: Jiang Xia , Zeng Xianlin , Sun Jian , Chen Jie
Published: February 2021

A distributed impulsive algorithm is presented for solving large‐scale nonlinear optimization problems, which is based on state‐dependent impulsive dynamical system theory. The optimization problem, whose objective function is a sum of convex and continuously differentiable functions, is solved over a multi‐agent network system. The proposed algorithm takes distributed updates in continuous‐time part and centralized updates in discrete‐time part, which can improve the convergence performance. With stability theory of impulsive dynamical systems, the proposed impulsive algorithm is proved to converge to one optimal solution, and under certain conditions, agents' states are proved to converge at a linear convergence rate. In numerical simulation, compared with conventional distributed continuous‐time algorithm, the performance advantage of the proposed impulsive method is demonstrated.
Make campus safe for students with disabilities by collaborating with police, safety personnel
Authors: Rahn Josh
Published: February 2021

Students with disabilities face unique challenges on college campuses. One of those challenges is how to recognize and react appropriately to an emergency or violent incident, such as an active shooter. In New Jersey, the Bergen Community College Office of Specialized Services partnered with campus safety personnel and the Bergen County Sheriff's Office to develop a training program to address this need.
Ex vivo conditioning of peripheral blood mononuclear cells of diabetic patients promotes vasculogenic wound healing
Authors: Tanaka Rica , Ito-Hirano Rie , Fujimura Satoshi , Arita Kayo , Hagiwara Hiroko , Mita Tomoya , Itoh Masayoshi , Kawaji Hideya , Ogawa Takasuke , Watada Hirotaka , Masuda Haruchika , Asahara Takayuki , Mizuno Hiroshi
Published: February 2021

The quality and quantity of endothelial progenitor cells (EPCs) are impaired in patients with diabetes mellitus patients, leading to reduced tissue repair during autologous EPC therapy. This study aimed to address the limitations of the previously described serum-free Quantity and Quality Control Culture System (QQc) using CD34+ cells by investigating the therapeutic potential of a novel mononuclear cell (MNC)-QQ. MNCs were isolated from 50 mL of peripheral blood of patients with diabetes mellitus and healthy volunteers (n = 13 each) and subjected to QQc for 7 days in serum-free expansion media with VEGF, Flt-3 ligand, TPO, IL-6, and SCF. The vascular regeneration capability of MNC-QQ cells pre- or post-QQc was evaluated with an EPC colony-forming assay, FACS, EPC culture, tube formation assay, and quantitative real time PCR. For in vivo assessment, 1 × 104 pre- and post-MNC-QQc cells from diabetic donors were injected into a murine wound-healing model using Balb/c nude mice. The percentage of wound closure and angio-vasculogenesis was then assessed. This study revealed vasculogenic, anti-inflammatory, and wound-healing effects of MNC-QQ therapy in both in vitro and in vivo models. This system addresses the low efficiency and efficacy of the current naïve MNC therapy for wound-healing in diabetic patients. As this technique requires a simple blood draw, isolation, and peripheral blood MNC suspension culture for only a week, it can be used as a simple and effective outpatient-based vascular and regenerative therapy for patients with diabetes mellitus.
Multipoint Hydrogen Bonding‐Based Molecular Recognition of Amino Acids and Peptide Derivatives in a Porous Metal‐Macrocycle Framework: Residue‐Specificity, Diastereoselectivity, and Conformational Control
Authors: Tashiro Shohei , Nakata Kosuke , Hayashi Ryunosuke , Shionoya Mitsuhiko
Published: February 2021

Porous crystals have great potential to exert space‐specific functions such as multipoint molecular recognition. In order to rationally enhance the porous function, it is necessary to precisely control molecular recognition event in the pores. Hydrogen bonding is an effective tool for controlling molecular recognition. However, multiple hydrogen bonds, which are essentially the origin of high complementarity and specificity, remain difficult to innovate in porous crystals in an intelligent way. This paper demonstrates molecular recognition of amino acid and peptide derivatives by multipoint hydrogen bonding in a porous metal‐macrocycle framework revealed by single‐crystal X‐ray diffraction analysis. l‐Serine residues are site‐selectively and residue‐specifically adsorbed on the pore surface via multiple hydrogen bonds. A serine derivative is diastereoselectively recognized on the (P)‐ or (M)‐side of the enantiomeric pore surface. Moreover, the conformation of the peptide is highly regulated, incorporating a poly‐l‐proline type I helix‐like structure into the pore. These findings will bring deep scientific knowledge to the design of new porous crystals and functions.
Preparation of CdSySe1−y‐MoS2 Heterostructures via Cation Exchange of Pre‐Epitaxially Synthesized Cu2−χSySe1−y‐MoS2 for Photocatalytic Hydrogen Evolution
Authors: Chen Junze , Wu Xue‐Jun , Lu Qipeng , Zhao Meiting , Yin Peng‐Fei , Ma Qinglang , Nam Gwang‐Hyeon , Li Bing , Chen Bo , Zhang Hua
Published: February 2021

Construction of 2D transition metal dichalcogenide (TMD)‐based epitaxial heterostructures with different compositions is important for various promising applications, including electronics, photonics, and catalysis. However, the rational design and controlled synthesis of such kind of heterostructures still remain challenge, especially for those consisting of layered TMDs and other non‐layered materials. Here, a facile one‐pot, wet‐chemical method is reported to synthesize Cu2−χSySe1−y‐MoS2 heterostructures in which two types of different epitaxial configurations, i.e., vertical and lateral epitaxies, coexist. The chalcogen ratio (S/Se) in Cu2−χSySe1−y and the loading amount of MoS2 in the heterostructures can be tuned. Impressively, the obtained Cu2−χSySe1−y‐MoS2 heterostructures can be transformed to CdSySe1−y‐MoS2 without morphological change via cation exchange. As a proof‐of‐concept application, the obtained CdSySe1−y‐MoS2 heterostructures with controllable compositions are used as photocatalysts, exhibiting distinctive catalytic activities toward the photocatalytic hydrogen evolution under visible light irradiation. The method paves the way for the synthesis of different TMD‐based lateral epitaxial heterostructures with unique properties for various applications.
Multi‐Elemental Electronic Coupling for Enhanced Hydrogen Generation
Authors: Li Huan , Hu Minghao , Cao Bo , Jing Peng , Liu Baocang , Gao Rui , Zhang Jun , Shi Xiaomeng , Du Yaping
Published: February 2021

A robust polyaniline‐assisted strategy is developed to construct a self‐supported electrode constituting a nitrogen, phosphorus, sulfur tri‐doped thin graphitic carbon layer encapsulated sulfur‐doped molybdenum phosphide nanosheet array (NPSCL@S‐MoP NSs/CC) with accessible nanopores, desirable chemical compositions, and stable composite structure for efficient hydrogen evolution reaction (HER). The multiple electronic coupling effects of S‐MoP with N, P, S tri‐dopants afford effective regulation on their electrocatalytic performance by endowing abundant accessible active sites, outstanding charge‐transfer property, and d‐band center downshift with a thermodynamically favorable hydrogen adsorption free energy (ΔGH*) for efficient hydrogen evolution catalysis. As a result, the NPSCL@S‐MoP NSs/CC electrode exhibits overpotentials as low as 65, 114, and 49 mV at a geometric current density of 10 mA cm−2 and small Tafel slopes of 49.5, 69.3, and 53.8 mV dec−1 in 0.5 m H2SO4, 1.0 m PBS, and 1.0 m KOH, respectively, which could maintain 50 h of stable performance, almost outperforming all MoP‐based catalysts reported so far. This study provides a valuable methodology to produce interacted multi‐heteroatomic doped graphitic carbon‐transition metal phosphide electrocatalysts with superior HER performance in a wide pH range.
Unveiling the Nature of Pt Single‐Atom Catalyst during Electrocatalytic Hydrogen Evolution and Oxygen Reduction Reactions
Authors: Li Junjie , Banis Mohammad Norouzi , Ren Zhouhong , Adair Keegan R. , Doyle‐Davis Kieran , Meira Debora Motta , Finfrock Y. Zou , Zhang Lei , Kong Fanpeng , Sham Tsun‐Kong , Li Ruying , Luo Jun , Sun Xueliang
Published: February 2021

Single‐atom catalysts (SACs) have attracted significant attention due to their superior catalytic activity and selectivity. However, the nature of active sites of SACs under realistic reaction conditions is ambiguous. In this work, high loading Pt single atoms on graphitic carbon nitride (g‐C3N4)‐derived N‐doped carbon nanosheets (Pt1/NCNS) is achieved through atomic layer deposition. Operando X‐ray absorption spectroscopy (XAS) is performed on Pt single atoms and nanoparticles (NPs) in both the hydrogen evolution reaction (HER) and oxygen reduction reaction (ORR). The operando results indicate that the total unoccupied density of states of Pt 5d orbitals of Pt1 atoms is higher than that of Pt NPs under HER condition, and that a stable Pt oxide is formed during ORR on Pt1/NCNS, which may suppress the adsorption and activation of O2. This work unveils the nature of Pt single atoms under realistic HER and ORR conditions, providing a deeper understanding for designing advanced SACs.
Recent Advances in Patterning Natural Polymers: From Nanofabrication Techniques to Applications
Authors: Zhu Shuihong , Tang Yonghua , Lin Changxu , Liu Xiang Yang , Lin Youhui
Published: February 2021

The development of a flexible and efficient strategy to precisely fabricate polymer patterns is increasingly significant for many research areas, especially for cell biology, pharmaceutical science, tissue engineering, soft photonics, and bioelectronics. Recent advances of patterning natural polymers using various nanofabrication techniques, including photolithography, electron‐beam lithography, dip‐pen nanolithography, inkjet printing, soft lithography, and nanoimprint lithography are discussed here. Integrating nanofabrication techniques with naturally derived macromolecules provides a feasible route for transforming these polymer materials into versatile and sophisticated devices while maintaining their intrinsic and excellent properties. Furthermore, the corresponding applications of these natural polymer patterns generated by the above techniques are elaborated. In the end, a summary of this promising research field is offered and an outlook for the future is given. It is expected that advances in precise spatial patterns of natural polymers would provide new avenues for various applications, such as tissue engineering, flexible electronics, biomedical diagnosis, and soft photonics.
Event‐driven data alteration detection using block‐chain
Authors: Srivastava Shubhi , Mohit  , Kumar Arun , Jha Sudhanshu Kumar , Dixit Pratibha , Prakash Shiv
Published: February 2021

With the rapid development of Internet and Internet‐based applications, accessing of the file become easy from various locations at the same time around the globe, however, maintaining of data integrity turn into a challenging issue. In order to maintain a data integrity in a large database(s), database file is being kept to secure with the presence of control policies and firewalls, which basically limit the outside users with more strict control policies. Despite these control policies, there still lies a threat to the security of the data through an insider attack. An insider attack refers to someone who is a part of the organization and can have access to the resources (network, system, etc.) with inside knowledge of the system or knows the administrative rights, and thus interferes with the data, now become one of the most critical challenging issues for the organization as such attacks are hard to notice. An insider attacker is more crucial to the organization as they can perform espionage, embezzlement, theft of the intellectual property, disclosing of the research, and development being carried out in the organization, and sabotage. Therefore, to highlight this, an Event‐Driven Data Alteration Detection technique using the tamper resistance property of Block‐chain technology is being presented in this paper. The model has been tested and found that if any unauthorized alteration in the database is being made then it can be detected using the Block‐chain Database API. To make it robust to insider attacks we have implemented and tested the model on a web‐based application. A machine learning based technique will be considered for detection in the future scope of this paper. The results obtained after experiments show the performance of the proposed architecture and the comparison outcome shows that the proposed architecture is better than related models.
Defense against flooding attacks using probabilistic thresholds in the internet of things ecosystem
Authors: Zarei Seyed Meysam , Fotohi Reza
Published: February 2021

The Internet of Things (IoT) ecosystem allows communication between billions of devices worldwide that are collecting data autonomously. The vast amount of data generated by these devices must be controlled totally securely. The centralized solutions are not capable of responding to these concerns due to security challenges problems. Thus, the Average Packet Transmission RREQ (APT‐RREQ) as an effective solution, has been employed to overcome these concerns to allow for entirely secure communication between devices. In this paper, an approach called LSFA‐IoT is proposed that protects the AODV routing protocol as well as the IoT network against flooding. The proposed method is divided into two main phases; the first phase includes a physical layer intrusion and attack detection system used to detect attacks, and the second phase involves detecting incorrect events through APT‐RREQ messages. The simulation results indicated the superiority of the proposed method in terms of False Positive Rate (FPR), False Negative Rate (FPR), Detection Rate (DR), and Packet Delivery Rate (PDR) compared to REATO and IRAD. Also, the simulation results show how the proposed approach can significantly increase the security of each thing and network security.
Engaging Isatins in Multicomponent Reactions (MCRs) – Easy Access to Structural Diversity
Authors: Brandão Pedro , Marques Carolina S. , Carreiro Elisabete P. , Pineiro M. , Burke Anthony J.
Published: February 2021

Multicomponent reactions (MCRs) are a valuable tool in diversity‐oriented synthesis. Its application to privileged structures is gaining relevance in the fields of organic and medicinal chemistry. Isatin, due to its unique reactivity, can undergo different MCRs, affording multiple interesting scaffolds, namely oxindole‐derivatives (including spirooxindoles, bis‐oxindoles and 3,3‐disubstituted oxindoles) and even, under certain conditions, ring‐opening reactions occur that leads to other heterocyclic compounds. Over the past few years, new methodologies have been described for the application of this important and easily available starting material in MCRs. In this review, we explore these novelties, displaying them according to the structure of the final products obtained.
Fresh Molecular Concepts to Extend the Lifetimes of Old Antimicrobial Drugs
Authors: Jaber Qais Z. , Fridman Micha
Published: February 2021

Antimicrobial drug development generally initiates with target identification and mode of action studies. Often, emergence of resistance and/or undesired side effects that are discovered only after prolonged clinical use, result in discontinuation of clinical use. Since the cost and time required for improvement of existing drugs are considerably lower than those required for the development of novel drugs, academic and pharmaceutical company researchers pursue this direction. In this account we describe selected examples of how chemical probes generated from antimicrobial drugs and chemical and enzymatic modifications of these drugs have been used to modify modes of action, block mechanisms of resistance, or reduce side effects, improving performance. These examples demonstrate how new and comprehensive mechanistic insights can be translated into fresh concepts for development of next‐generation antimicrobial agents.
Teacher language practices that support multilingual learners: classroom‐based approaches from multilingual early childhood teachers
Authors: Wagner Christopher J.
Published: February 2021

The language practices used by teachers in schools directly impact the language development and reading performance of multilingual children. Despite the important effect of teacher language choices on children’s language learning, there is a considerable need to better understand what constitutes effective multilingual language practices for teachers. This study uses teacher inquiry to examine the language practices multilingual early childhood teachers develop, implement, and refine when supported to critically examine their teaching practice. Participants were five multilingual early childhood teachers with varying language histories, program settings, and professional experiences. Findings describe themes that capture the key practices and guiding ideas from the knowledge developed by these teachers. These themes provide guidance on practices that can leverage the language capacities of multilingual teachers and show ways that multilingual teachers can make language choices that support multilingual learners. This study centers multilingual teachers’ voices and knowledge about language and culture, and highlights the critical role of teachers as producers of new knowledge and language practices.
Parental PM2.5 exposure changes Th17/Treg cells in offspring, is associated with the elevation of blood pressure
Authors: Pan Kun , Jiang Shuo , Du Xihao , Zeng Xuejiao , Zhang Jia , Song Liying , Lei Lei , Zhou Ji , Kan Haidong , Sun Qinghua , Xie Yuquan , Dong Chen , Zhao Jinzhuo
Published: February 2021

Epidemiological evidences have indicated that fine particulate matter (PM2.5) exposure is associated with the occurrence and development of hypertension. The present study aims to explore the effects of parental PM2.5 exposure on blood pressure in offspring and elucidate the potential mechanism. The parental male and female C57BL/6 mice were exposed to concentrated PM2.5 or filtered air (FA) using Shanghai Meteorological and Environmental Animal Exposure System (Shanghai‐METAS) for 16 weeks. At week 12, the mice were assigned to breed offspring. The male offspring mice were further exposed to PM2.5 or FA as above method. During the parental exposure, the average PM2.5 concentration was 133.7 ± 53.32 μg/m3 in PM chamber, whereas the average concentration in FA chamber was 9.4 ± 0.23 μg/m3. Similarly, during the offspring exposure, the average concentration in PM and FA chamber were 100.76 ± 26.97 μg/m3 and 9.15 ± 0.15 μg/m3, respectively. The PM2.5‐exposed offspring mice displayed the elevation of blood pressure, the increase of angiotensin II (Ang II), the decrease of angiotensin converting enzyme 2 (ACE2) and Ang (1–7) in serum when compared with the FA‐exposed offspring mice. The similar results displayed in the proteins expression of ACE2, AT1R, and Ang (1–7) in vessel and kidney. More importantly, parental PM exposure further induced the increase in serous Ang II and the protein expression of AT1R in vessel, but decrease in ACE2 and Ang (1–7). The serous Ang II was positively associated with splenic T helper type 17 (Th17) cell population and serous IL (interleukin)‐17A, but negatively associated with T regular (Treg) cell population and serous IL‐10. The results suggested that parental air pollution exposure might induce the elevation of offspring blood pressure via mediate Th17‐ and Treg‐related immune microenvironment.
CO2‐neutrale Mobilität als Herausforderung und Chance
Authors: Hosenfeldt Tim
Published: February 2021

Für eine CO2‐neutrale und nachhaltige Mobilität bieten sich drei Konzepte an: Erstens, die direkte Nutzung der elektrischen Energie für batterieelektrische Fahrzeuge (BEV). Zweitens, über die Wandlung des regenerativ erzeugten Stroms in grünen Wasserstoff als Energieträger für brennstoffzellenelektrische Fahrzeuge (FCEV) und drittens, über die Erzeugung von synthetischen Kraftstoffen aus grünem Wasserstoff. Dabei werden sich die Technologien nach Fahrzeuggewicht, Wegstrecke und notwendiger Antriebsleistung ergänzen. Unabhängig vom Antriebskonzept bietet die Plasmaoberflächentechnik herausragende Möglichkeiten für die Optimierung hochbeanspruchter tribologischer Systeme. So haben sich Triondur PVD‐ und PACVD‐ Schichtsysteme in der Automobilindustrie, wo sie anfänglich zur Vermeidung von Verschleiß eingesetzt wurden, zu einem immer wertvolleren Konstruktionselement zur Steigerung der Energieeffizienz und CO2‐Einsparung durch Reibungsreduzierung entwickelt. So wurden 2018 mehr als 150 Millionen mit Triondur beschichtete Bauteile weltweit ausgeliefert.

Für die Defossilisierung der Energiekette durch Elektrolyseure und Brennstoffzellen wird die Plasmaoberflächentechnik eine wichtige Schlüsselrolle spielen, um die hohen Anforderungen an die geforderten elektrochemischen Eigenschaften und Qualitätsstandards zu erfüllen.

Für eine CO2‐neutrale und nachhaltige Mobilität wird die Plasma‐Oberflächentechnik unabhängig vom Antriebskonzept immer eine wichtige Schlüsseltechnologie sein und bleiben.
Retrospective evaluation of association between perioperative antimicrobial protocol and complications following elective equine synovial endoscopy
Authors: Pezzanite Lynn M. , Griffenhagen Gregg M. , Krause Danielle M. , Hendrickson Dean A.
Published: February 2021

Background

Prophylactic perioperative antimicrobial protocols in equine synovial endoscopy have been described but not compared with respect to post‐operative outcomes and complications. Increasing antimicrobial resistance in equine practice and interest in promoting judicious use of antimicrobials has prompted reevaluation of drug selection and dosing strategies.

Objectives

To determine the frequency of and compare post‐operative complications following elective synovial endoscopy between horses receiving different perioperative antimicrobial protocols.

Methods

Records from the Colorado State University Veterinary Teaching Hospital were evaluated (2014–2018) and equine patients undergoing elective synovial endoscopy were identified. Patients undergoing endoscopy for sepsis or internal fixation were excluded. Patient signalment, clinician, joint and limb involved, perioperative antimicrobial regimen, number endoscopic portals and closure technique, and post‐operative complications including incidence of joint infection were recorded. Generalized linear models were used to estimate the odds of post‐operative complications.

Results

Elective synovial endoscopies of 516 horses in 537 procedures evaluating 761 synovial structures were performed. No horses developed post‐operative septic synovitis. Administration of post‐operative antimicrobials, type used and patient sex were all significantly associated with increased risk of complications, which were predominantly gastrointestinal‐related. Complication rates in horses receiving a single preoperative dose of cefazolin were lower than in horses receiving potassium penicillin, gentamicin or multiple doses. Complication rates were lower in females compared to castrated or intact males. Other factors evaluated (breed, age, surgeon, anaesthesia duration or hospitalization, joint/limb operated, number endoscopic portals) were not associated with increased risk of complications post‐operatively in this case population.

Conclusions

Prophylactic perioperative antimicrobial protocols in equine practice deserve periodic reconsideration due to increased antimicrobial resistance. Prolonged antimicrobial usage beyond the time of surgery was unnecessary to prevent septic synovitis following synovial endoscopy in this case population and was furthermore associated with an increased risk of gastrointestinal complications.
Cover crops and tillage effects on carbon–nitrogen pools: A lysimeter study
Authors: Singh Gurbir , Kaur Gurpreet , Williard Karl W. J. , Schoonover Jon E.
Published: February 2021

Cover crops (CCs) and tillage practices influence C and N pools in soil, which can affect dissolved organic C (DOC) and N leaching from agricultural fields. Previous studies on cover crops have focused mostly on nitrate leaching and total C (TC). Therefore, a study was conducted in southern Illinois from 2015 to 2018 to evaluate the effects of tillage systems (conventional till [CT] and no‐tillage [NT]) and CCs on C and N pools including water‐extractable C (WEC), permanganate oxidizable C (POXC), TC, water‐extractable N (WEN), and total N (TN) in soil and on TN and DOC leaching collected with zero‐tension lysimeters. Crop rotations included were corn (Zea mays L.)–soybean [Glycine max (L.) Merr.] rotation without winter CC (C–S), corn–cereal rye (Secale cereale L.)–soybean–hairy vetch (Vicia villosa Roth) (C–R–S–HV), corn–cereal rye–soybean–oat + radish (Avena sativa L.+ Raphanus sativus L.) (C–R–S–OR). The WEC decreased over time under CT system at a depth to 0–15 cm in rotation C–R–S–OR having cereal rye and oat + radish CCs. The POXC at depths of 15–30 and 30–45 cm increased significantly over time from fall 2015 to spring 2018 for all rotations under both tillage systems. The cumulative DOC leaching was greater in C–R–S–HV rotation than in C–S rotation in fall 2015 and spring 2018. Inclusion of cereal rye in C–R–S–HV and C–R–S–OR rotations reduced cumulative TN leaching compared with the C–S having no CC in spring 2018. Increased DOC leaching losses with the introduction of CC should be addressed and need further evaluation for its impact on C cycling in surface and subsurface waters.
QUESTDB: A database of highly accurate excitation energies for the electronic structure community
Authors: Véril Mickaël , Scemama Anthony , Caffarel Michel , Lipparini Filippo , Boggio‐Pasqua Martial , Jacquemin Denis , Loos Pierre‐François
Published: February 2021

We describe our efforts of the past few years to create a large set of more than 500 highly accurate vertical excitation energies of various natures (π → π*, n → π*, double excitation, Rydberg, singlet, doublet, triplet, etc.) in small‐ and medium‐sized molecules. These values have been obtained using an incremental strategy which consists in combining high‐order coupled cluster and selected configuration interaction calculations using increasingly large diffuse basis sets in order to reach high accuracy. One of the key aspects of the so‐called QUEST database of vertical excitations is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating theoretical cross comparisons. Following this composite protocol, we have been able to produce theoretical best estimates (TBEs) with the aug‐cc‐pVTZ basis set for each of these transitions, as well as basis set corrected TBEs (i.e., near the complete basis set limit) for some of them. The TBEs/aug‐cc‐pVTZ have been employed to benchmark a large number of (lower‐order) wave function methods such as CIS(D), ADC(2), CC2, STEOM‐CCSD, CCSD, CCSDR(3), CCSDT‐3, ADC(3), CC3, NEVPT2, and so on (including spin‐scaled variants). In order to gather the huge amount of data produced during the QUEST project, we have created a website (https://lcpq.github.io/QUESTDB_website) where one can easily test and compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the type of basis set, and so on. We hope that the present review will provide a useful summary of our effort so far and foster new developments around excited‐state methods.

This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods
Selectivity in organocatalysis—From qualitative to quantitative predictive models
Authors: Sterling Alistair J. , Zavitsanou Stamatia , Ford Joseph , Duarte Fernanda
Published: February 2021

Recent advances in both experimental and computational techniques pose an exciting time for chemistry. Computational tools traditionally used to interpret experimental trends have now evolved into predictive models able to guide the design of novel catalysts. This review discusses the evolution of these models, as well as challenges and future avenues in the field of organocatalysis. Through representative examples we demonstrate how traditional physical organic chemistry tools in combination with machine learning models provide a powerful approach to achieve deeper understanding alongside greater predictive power.

This article is categorized under:

Structure and Mechanism > Reaction Mechanisms and Catalysis

Electronic Structure Theory > Density Functional Theory

Data Science > Artificial Intelligence/Machine Learning
Carbonaceous vs. total biochemical oxygen demand as a basis for WRRF design and performance monitoring
Authors: Young James C. , Vanrolleghem Peter A.
Published: February 2021

The standard 5‐day biochemical oxygen demand (BOD5) measurement of water quality is used widely as a design parameter for water resource recovery facilities (WRRFs). This measure usually includes a component of nitrogenous oxygen demand (NOD) that can cause oversizing of biological processes and under‐evaluation of process capacity. Carbonaceous BOD (CBOD5) more closely represents oxygen demand associated with biodegradation of organic constituents of a wastewater than does BOD5 and therefore should be used as a basis for sizing aerobic treatment processes. Nitrogenous oxygen demand or reduced nitrogen content should be used as a loading and process performance parameter for nitrogen removal processes.

Practitioner points

Oxygen demand for aerobic biodegradation reactions typically is divided into two major categories—carbonaceous biochemical oxygen demand (CBOD) and nitrogenous oxygen demand (NOD).

Use of BOD5 as a design parameter and CBOD5 as an effluent water quality parameter distorts the true performance and loading rate capacity of a treatment plant.

Carbonaceous BOD (CBOD5) more closely represents oxygen demand associated with biodegradation of organic constituents of a wastewater than does BOD5 and therefore should be used as a basis for sizing and evaluating the performance of aerobic treatment processes.

Nitrogenous oxygen demand or reduced nitrogen content should be used as a loading and process performance parameter for nitrogen removal processes.
Quality and Standards for Haematopoietic Stem Cells Transplantation Programs
Authors: McGrath Eoin , Jawdat Dunia
Published: February 2021

Healthcare settings at present are driven by quality initiatives aiming to improve services and patient care. Haematopoietic Stem Cells Transplantation (HSCT) is an evolving field influenced by advancement in technology and research, which is reflected in its complex modality and sophisticated procedures. Due to the necessary collaboration between several entities (donor registries, testing laboratories, collection facilities, manufacturing and storing facilities, clinical programs and logistic services) in performing HSCT, achieving high-quality services is considered a challenge. Therefore, transplantation professionals have been continuously developing and improving standards to help control this complexity and manage the inherent risks of this treatment. In this regard, HSCT was, and continues to be, a pioneer in the area of quality and standards.
Adverse Events and Corrective and Preventive Actions
Authors: Huynh Phuong , Monteleone Renza
Published: February 2021

Everything that is not compliant with SOP, guidelines, national and international standards, and legal requirements could affect the quality and safety of the cellular products and all processes. To guarantee the safety of cellular products, to protect recipients, donors, and personnel, it is necessary to have in place a robust system for reporting, investigating, and resolving all occurrences: errors, accidents, adverse events, biological product deviations, and complaints.

In some case, the management of adverse events and other type of deviations is included in hospital management, but even in this case, the transplant programme quality system should have specific SOP that includes a system to manage any issues, actions to prevent adverse events and deviations, and a description of the step to resolve them.
Performance Measurement
Authors: Alseraihy Amal , Rasheed Waleed , Aljurf Mahmoud
Published: February 2021

Stem cell transplantation is a highly specialized and cost-driving service, operating at multiple levels of structures and processes, according to each program’s capacity and complexity of treated cases. Whether the focus of the program is to achieve excellence or to build a quality system or to comply with national or international accreditation, performance improvement and management can be challenging for the decision makers without objective customized performance measures for such complex medical care. The first part of this chapter provides the reader with a comprehensive review of performance measurement definitions, development, and working framework. The second part focuses on performance measurement in SCT program.
Methodologische Perspektive und methodische Vorgehensweise
Authors: Haus Juliane
Published: February 2021

. Das vierte Kapitel zielt darauf ab, den Ablauf des Forschungsprozesses in methodischer und methodologischer Perspektive nachvollziehbar darzulegen. Es werden einerseits, die genutzten Methoden der Datenerhebung und -analyse dargestellt und zugleich die methodologische Perspektive reflektiet und offengelegt, aus der heraus die Forschung erfolgte. Zur besseren Übersicht wurde das Kapitel in drei Abschnitte geteilt. Der erste Teil thematisiert unterschiedliche Geschichtspunkte des Forschungsdesigns (Abschnitt 4.1) und gibt hier u.a. eine kurze Einführung zum qulitativen Experiment (Abschnitt 4.1.3). Der zweite Teil gibt Auskunft über das Vorgehen der Datenerhebung und die Datengrundlage, auf welcher die empirische Analyse fußt (Abschnitt 4.2). Abschließend wird in einem dritten Teil erläutert, weshalb das Verfahren der wissenssoziologischen Gattungsanalyse für die untersuchte Forschungsfrage sowohl aus methodologischer als auch aus konzeptioneller Sicht geeignet erscheint (Abschnitt 4.3).
Going native und coming home – Ein Ausblick
Authors: Haus Juliane
Published: February 2021

﻿Die vorliegende Untersuchung ist das Resultat der Auseinandersetzung einer qualitativen Forscherin mit dem Feld der wirtschaftswissenschaftlichen Laborexperimente. Die Inspiration zu neuen Forschungsarbeiten entstammt nicht selten aus dem Gefühl der Befremdung und der Differenz zwischen der beobachteten und der eigenen Wissenschaftskultur der Forschenden. So regte mich die Auseinandersetzung mit dem wissenschaftlichen Verfahren des Experiments zu einer kritischen Reflexion der Frage an, welche Potenziale ein experimentelles Vorgehen für die qualitative soziologische Forschung besitzen könnte. Das abschließende Kapitel skizziert kurz , welche Anstöße die Erkenntnisse dieser Arbeit für die Methodologie der Soziologie selbst bieten und plädiert für eine konstruktive Auseinandersetzung mit dem Potential verschiedener Spielarten experimenteller Forschungsdesigns in der qualitativen sozialwissenschaftlichen Forschung.
Spectral Gaps and Incompressibility in a $${\varvec{\nu }}$$ = 1/3 Fractional Quantum Hall System
Authors: Nachtergaele Bruno , Warzel Simone , Young Amanda
Published: February 2021

We study an effective Hamiltonian for the standard $$\nu =1/3$$

ν
=
1
/
3

fractional quantum Hall system in the thin cylinder regime. We give a complete description of its ground state space in terms of what we call Fragmented Matrix Product States, which are labeled by a certain family of tilings of the one-dimensional lattice. We then prove that the model has a spectral gap above the ground states for a range of coupling constants that includes physical values. As a consequence of the gap we establish the incompressibility of the fractional quantum Hall states. We also show that all the ground states labeled by a tiling have a finite correlation length, for which we give an upper bound. We demonstrate by example, however, that not all superpositions of tiling states have exponential decay of correlations.
iTriangular Stapling Technique: A Novel Reconstruction Method and Clinical Outcomes of Cervical Esophagogastric Anastomosis after Esophagectomy
Authors: Shibao Kazunori , Inoue Yuzuru , Sawatsubashi Yusuke , Kohi Siro , Matayoshi Nobutaka , Tanoue Takayuki , Sato Nagahiro , Katsuki Takefumi , Hirata Keiji
Published: February 2021

Background

We herein report the feasibility and safety of cervical end‐to‐end anastomosis by the iTriangular stapling technique (iTST), which was developed as an extension of the triangular stapling technique (TST) after minimally invasive esophagectomy (MIE).

Methods

A total of 45 patients with thoracic esophageal cancer who underwent reconstruction with cervical esophagogastric anastomosis by iTST using a linear stapler after MIE between January 2016 and January 2019 were retrospectively reviewed. We modified and improved upon the TST by adding a 1‐ to 2‐cm vertical incision on the anterior wall of the remnant esophageal stump to enlarge the anastomotic lumen and thereby reduce the risk of anastomotic stenosis. The short‐term patient outcomes were determined to assess the safety and feasibility of our procedures.

Results

The median operating time was 686 (range, 319–1110) minutes, and the median blood loss was 170 (range, 5–1180) ml. There were no cases of anastomotic stenosis in this study, although 2 patients (4.4%) developed minor anastomotic leakage. A case (2.2%) of tracheal fistula due to the apex of the triangular anastomosis was resolved simply by delaying the patient's oral intake. The mean length of the hospitalization was 21 days.

Conclusions

The iTST provides a larger lumen unlimited by the size of the esophagus in cervical esophagogastric anastomosis. This technique is feasible, and sufficient short‐term results have been achieved. Further studies with the accumulation of more cases will be required to prove the benefits of iTST for reconstruction after MIE.
Humanitarian Surgical Missions in Times of COVID‐19: Recommendations to Safely Return to a Sub‐Saharan Africa Low‐Resource Setting
Authors: Lopez‐Lopez Víctor , Morales Ana , García‐Vazquez Elisa , González Miguel , Hernandez Quiteria , Baroja‐Mazo Alberto , Palazon Dolores , Tortosa Jose A. , Rodriguez Maria A. , Torregrosa Nuria M. , Kanyi Winnie , Ndungu J. K. , Martinez José Gil , Rodriguez José M.
Published: February 2021

Background

Since the declaration of the pandemic, humanitarian medicine has been discontinued. Until now, there have been no general recommendations on how humanitarian surgical missions should be organized.

Methods

Based on our experience in the field of humanitarian surgical missions to Sub‐Saharan Africa, a panel of recommendations in times of COVID‐19 was developed. The fields under study were as follows: (1) Planning of a multidisciplinary project; (2) Organization of the infrastructure; (3) Screening, management and treatment of SARS‐COV‐2; (4) Diagnostic tests for SARS‐COV‐2; (5) Surgical priorization and (6) Context of patients during health‐care assistance. We applied a risk bias measurement to obtain a consensus among humanitarian health‐care providers with experience in this field.

Results

A total of 94.36% of agreement were reached for the approval of the recommendations. Emergency surgery must be a priority, and elective surgery adapted. For emergency surgery, we established a priority level 1a (< 24 h) and 1b (< 72 h). For an elective procedure, according our American College of Surgeon adaptation score, process with more than 60 points should be reconsidered. Due to the low life expectancy in many African countries, we consider 45–50 years as age of risk. In case of SARS‐COV‐2 active infection or high clinical suspicion, the screening, management and treatment should be following the international guidelines adapted to duration of the stay, available infrastructure, size of the cooperation team and medical resources.

Conclusions

Humanitarian surgical mission in times of COVID‐19 is a challenge that must extrapolate the established recommendations to the local cooperation environment.
Toughness, Forbidden Subgraphs and Pancyclicity
Authors: Zheng Wei , Broersma Hajo , Wang Ligong
Published: February 2021

Motivated by several conjectures due to Nikoghosyan, in a recent article due to Li et al., the aim was to characterize all possible graphs H such that every 1-tough H-free graph is hamiltonian. The almost complete answer was given there by the conclusion that every proper induced subgraph H of $$K_1\cup P_4$$

K
1

∪

P
4

can act as a forbidden subgraph to ensure that every 1-tough H-free graph is hamiltonian, and that there is no other forbidden subgraph with this property, except possibly for the graph $$K_1\cup P_4$$

K
1

∪

P
4

itself. The hamiltonicity of 1-tough $$K_1\cup P_4$$

K
1

∪

P
4

-free graphs, as conjectured by Nikoghosyan, was left there as an open case. In this paper, we consider the stronger property of pancyclicity under the same condition. We find that the results are completely analogous to the hamiltonian case: every graph H such that any 1-tough H-free graph is hamiltonian also ensures that every 1-tough H-free graph is pancyclic, except for a few specific classes of graphs. Moreover, there is no other forbidden subgraph having this property. With respect to the open case for hamiltonicity of 1-tough $$K_1\cup P_4$$

K
1

∪

P
4

-free graphs we give infinite families of graphs that are not pancyclic.
Ultrasonographic assessment of ossification of the distal radial epiphysis for estimating forensic age
Authors: Ekizoglu Oguzhan , Er Ali , Buyuktoka Asli Dilara , Bozdag Mustafa , Karaman Gokce , Moghaddam Negahnaz , Grabherr Silke
Published: February 2021

Since forensic age estimation is not a valid medical indication, research on the use of nonionizing methods is increasing. Ultrasonography is a radiological approach that protects patients from radiation exposure and offers special convenience to them. In this study, ultrasonography was used for age estimation by investigating the degree of ossification of the distal radial epiphysis. Its applicability on the Turkish population was investigated. The left wrist of 688 (322 males, 366 females) patients between the ages of 9 and 25 years was prospectively evaluated by ultrasonography. The intra- and interobserver reliabilities in evaluating the distal radial epiphysis and Cohen’s kappa statistics show that the interobserver error was very low, and the kappa value was found to be 0.919. Stage 3 and 4 ossification of the distal radial epiphysis was first detected at age 14.3 and 15.3 years in males and 12.7 and 14.8 years in females, respectively. The data obtained may help determine legally critical age limits of 14 and 15. Although it does not seem useful for the age of 18, ultrasonography may be recommended in selected cases as a fast, inexpensive, frequently reproducible radiological method without concern about radiation and without a predictable health risk.