bluuebunny/crossref_metadata_2025_split huggingface dataset:
SO2F2 Promoted Deoxygenhalogenation from Alcohols: A Practical Method for Preparing Halides.
Authors: Zhang Guofu , Luo Zijin , Wang Huimin , Deng Linfang , Ding Chengrong 
Published: October 2022

AbstractA simple and practical technique for directly transforming readily available alkyl alcohols into halides using economical sulfuryl fluoride (SO2F2) has been developed. This halogenation protocol is extended to a wide range of alkyl alcohols to provide the corresponding chlorides, bromides, iodides, and fluorides in excellent yields (over 90 % in most cases) with broad functional group compatibility.
Biopolymer Based Materials as Alternative Greener Binders for Sustainable Electrochemical Energy Storage Applications
Authors: Rasheed Tahir , Anwar Muhammad Tuoqeer , Naveed Ahmad , Ali Amjad 
Published: October 2022

AbstractIn this study, we address the most recent innovations in the field of sustainable and environment friendlier binders for electrochemical energy storage devices such as, supercapacitors and batteries accompanied by the explanation, how they could reduce the impacts of environment and cost and enhance the efficiency of the energy equipment. Hitherto, the number of sustainable and environment friendlier binders are categorized according to their chemical composition, processability and natural availability. Different electrochemical devices are being employed to investigate their wide‐ranging advantages. Among them the most commonly employed devices are lithium‐ion batteries (LIBs) and electrochemical double layer supercapacitors (ECDSs). A detailed insight into the anodic half as well as cathodic half has been presented. The Si derived anodes exhibit enhanced capacitive performance as a result of increased cycling ability. This feature owes from the greater interactions between the functionalities and surface of the active particles of the anode material for example, polysaccharides such as carboxymethyl cellulose (CMC)/nanocellulose (NC). On the other hands the transition to water‐processable cathodes is more complicated compared to anodes. Among various polysaccharides, the NC has gained considerable attention as a sustainable and environment friendlier class of greener materials. Herein, we have discussed the role of NC based electrode materials with applications in supercapacitors and batteries. Finally, a comprehensive overview based on the documented work and current views for the further development of NC based aqueous electrodes in the field of electrochemical energy storage devices are discussed.
Molecular Docking and Antibacterial Assessment of Monocyclic β‐Lactams against Broad‐Spectrum and Nosocomial Multidrug‐Resistant Pathogens
Authors: Riazimontazer Elham , Heiran Roghayeh , Jarrahpour Aliasghar , Gholami Ahmad , Hashemi Zahra , Kazemi Aboozar 
Published: October 2022

Abstractβ‐Lactam antibiotics are critical antibacterial agents and have rapidly become active ingredients in modern medicine. On the other hand, in the face of increasing rate of antibacterial resistance, there are many concerns requiring the design and synthesis of new antibacterial agents. Herein, we synthesized some monocyclic β‐lactams with various substituents through the Staudinger cycloaddition reaction. The formation of cycloadducts was confirmed by elemental analysis and different spectral data, including NMR, FTIR, and Mass spectroscopy. The investigation of in vitro antibacterial activity of synthesized β‐lactams was performed against some broad‐spectrum strains, including Escherichia coli (E. coli), streptococcus aureus (S. aureus), Salmonella Typhi (S. Typhi), Enterococcus faecalis (E. faecalis), and Candida albicans (C. albicans) and also some nosocomial multidrug‐resistant pathogens such as methicillin‐resistant Staphylococcus aureus (MRSA), and vancomycin‐resistant enterococci (VRE). Penicillin Binding Proteins (PBPs) are responsible for the cell wall synthesis process as an enzymatic target for β‐lactam antibiotics. The molecular docking study exhibited a good correlation between the calculated binding affinity to PBP and the experimental data. Based on the obtained results, compound 4 d was successfully fitted in the BPB active site, and could potentially serve as a promising lead compound for the treatment of infectious diseases.
Fe(III)‐Mediated para‐Selective Nucleophilic Thiocyanation and Oxidation Reactions, Access to Thiocyanated Amidophenols and Amidoquinones
Authors: Yuan Ye , Liu Yibo , Wang HongLing , Zhang Xiang 
Published: October 2022

AbstractA para‐selective thiocyanation and a para‐oxidation reaction of amidophenols are shown to occur in the presence of Fe(III) reagents. A variety of thiocyanated products and amidoquinones can be selectively achieved in excellent yields (Gram‐scale for 2 h and 3 h). The nucleophilic pathway, oxidative dearomatization‐nucleophilic substitution‐rearomatization, is confirmed by control experiments. Furthermore, the bifunctionalized or trifluoromethylthiolated amidophenols and amino‐/thio‐amidoquinones are also available through simple derivatization and tandem Michael addition/oxidation reactions, respectively.
Partial pancreatectomy and en bloc excision of thrombosed vessels in a dog with insulinoma of the right limb of the pancreas
Authors: Valls Susana Martínez , Cantatore Matteo 
Published: October 2022

AbstractA 7‐year‐old, neutered golden retriever was evaluated for acute episodes of weakness, ataxia and disorientation, low blood glucose and inappropriately high insulin levels. Results of computed tomography revealed irregular enlargement of the distal tip of the right pancreas associated with thrombosis of the pancreaticoduodenal and first jejunal vein. A partial pancreatectomy with en bloc excision of the thrombosed vessels was performed. The distal duodenum and proximal jejunum maintained normal peristalsis and remained viable, obviating the need for concurrent intestinal resection and anastomosis. Histopathology confirmed a completely excised insulinoma with an associated tumour thrombus (vascular invasion of tumour). The dog remains alive with no evidence of recurrence 18 months after surgery.
Ageing and Loneliness: A Life Course and Cumulative Disadvantage Approach
Authors: Lam Jack , Dickson Catherine , Baxter Janeen 
Published: October 2022

AbstractLoneliness is emerging as a significant issue in modern societies with impacts on health and wellbeing. Many of the existing studies on loneliness focus on its contemporaneous correlates. Drawing on life course and cumulative disadvantage theory and data from qualitative interviews with 50 older adults living in the community, we examine how past events shape variations in later-life loneliness. We identify four factors that are of significance for understanding loneliness: (1) Formation of social networks; (2) history of familial support; (3) relocation and migration, and (4) widowhood and separation. Our findings point to the importance of maintenance of social ties over the adult life course while at the same time highlighting how disruptions to social networks impact on later-life loneliness. We also find that loneliness and disadvantage, like other social or health outcomes, compound over time.
On Deductive Verification of an Industrial Concurrent Software Component with VerCors
Authors: Monti Raúl E. , Rubbens Robert , Huisman Marieke 
Published: October 2022

AbstractThis paper presents a case study where a concurrent module of a tunnel control system written in Java is verified for memory safety and data race freedom using VerCors, a software verification tool. This case study was carried out in close collaboration with our industrial partner Technolution, which is in charge of developing the tunnel control software. First, we describe the process of preparing the code for verification, and how we make use of the different capabilities of VerCors to successfully verify the module. The concurrent module has gone through a rigorous process of design, code reviewing and unit and integration testing. Despite this careful approach, VerCors found two memory related bugs. We describe these bugs, and show how VerCors could have found them during the development process. Second, we wanted to communicate back our results and verification process to the engineers of Technolution. We discuss how we prepared our presentation, and the explanation we settled on. Third, we present interesting feedback points from this presentation. We use this feedback to determine future work directions with the goal to improve our tool support, and to bridge the gap between formal methods and industry.
Routine use of laparoscopic techniques in daily practice improves outcomes after appendectomy
Authors: Mönttinen Tiia , Kangaspunta Helmi , Laukkarinen Johanna , Ukkonen Mika 
Published: October 2022

Abstract
Background
Appendectomy is the most common emergency operation and is often performed during on-call hours, when surgeons with different sub-specialties and levels of experience in emergency surgery operate on patients. However, little is known about the safety of the procedure when operations are performed by surgeons not regularly using standard laparoscopic techniques. Here we aim to assess variation in outcomes in patients operated on by surgeons with different levels of experience in laparoscopic surgery.

Materials and methods
Consecutive patients undergoing appendectomy at Tampere University Hospital between September 1, 2014 and April 30, 2017 for acute appendicitis were included. The data were analyzed by level of experience among surgeons regularly performing laparoscopic surgery and by volume among surgeons performing over 30 appendectomies per year or fewer.

Results
A total of 1560 patients underwent appendectomy, with 61% operated on by laparoscopic surgeons, and the rest by surgeons not habitually using laparoscopic techniques. Demographic characteristics, as well as share of patients with perforated appendicitis were similar in both groups. Morbidity was higher among those operated on by non-laparoscopic surgeons (6.1% and 3.0% p = 0.004), especially if appendicitis was complicated (18% and 5.6%, p < 0.001). Infectious complications were the most common. The risk of postoperative organ/space surgical site infections was higher among patients operated on by non-laparoscopic surgeons (3.5% vs. 1.4%, p = 0.006; Clavien–Dindo III–IV 2.0% vs. 0.7%, p = 0.030). Morbidity was 2.7% among those operated on by surgeons performing ≥ 30 appendectomies per year compared to 5.2% among those performing < 30 appendectomies per year. In multivariate analysis surgeon’s experience (p = 0.002; HR 2.32, 95% CI 1.38–3.90) and complicated disease (p < 0.001; HR 4.71; 95% CI 2.79–7.93) predicted higher morbidity.

Discussion
According to our study, routine use of laparoscopic techniques in daily practice improves outcomes after appendectomy. In addition, a higher surgical volume correlates with improved outcomes.
Differentiability in Measure of the Flow Associated with a Nearly Incompressible BV Vector Field
Authors: Bianchini Stefano , De Nitti Nicola 
Published: October 2022

AbstractWe study the regularity of the flow$${\varvec{X}}(t,y)$$X(t,y), which represents (in the sense of Smirnov or as regular Lagrangian flow of Ambrosio) a solution$$\rho \in L^\infty ({\mathbb {R}}^{d+1})$$ρ∈L∞(Rd+1)of the continuity equation$$\begin{aligned} \partial _t \rho + {{\,\textrm{div}\,}}(\rho {\varvec{b}}) = 0, \end{aligned}$$∂tρ+div(ρb)=0,with$${\varvec{b}}\in L^1_t {{\,\textrm{BV}\,}}_x$$b∈Lt1BVx. We prove that$${\varvec{X}}$$Xis differentiable in measure in the sense of Ambrosio–Malý, that is$$\begin{aligned} \frac{{\varvec{X}}(t,y+rz) - {\varvec{X}}(t,y)}{r} \underset{r \rightarrow 0}{\rightarrow }\ W(t,y) z \quad \text {in measure}, \end{aligned}$$X(t,y+rz)-X(t,y)r→r→0W(t,y)zin measure,where the derivativeW(t, y) is a BV function satisfying the ODE$$\begin{aligned} \frac{\textrm{d}}{\textrm{d}t} W(t, y) = \frac{(D {\varvec{b}})_y(\textrm{d}t)}{J(t-,y)} W(t-, y), \end{aligned}$$ddtW(t,y)=(Db)y(dt)J(t-,y)W(t-,y),where$$(D{\varvec{b}})_y(\textrm{d}t)$$(Db)y(dt)is the disintegration of the measure$$\int D {\varvec{b}}(t,\cdot ) \, \textrm{d}t$$∫Db(t,·)dtwith respect to the partition given by the trajectories$${\varvec{X}}(t, y)$$X(t,y)and the JacobianJ(t, y) solves$$\begin{aligned} \frac{\textrm{d}}{\textrm{d}t} J(t,y) = ({{\,\textrm{div}\,}}{\varvec{b}})_y(\textrm{d}t) = \textrm{Tr}(D{\varvec{b}})_y(\textrm{d}t). \end{aligned}$$ddtJ(t,y)=(divb)y(dt)=Tr(Db)y(dt).The proof of this regularity result is based on the theory of Lagrangian representations and proper sets introduced by Bianchini and Bonicatto in [16], on the construction of explicit approximate tubular neighborhoods of trajectories, and on estimates that take into account the local structure of the derivative of a$${{\,\textrm{BV}\,}}$$BVvector field.
Amino acids and glycation compounds in hot trub formed during wort boiling
Authors: Böhm Wendelin , Stegmann Robin , Gulbis Ojars , Henle Thomas 
Published: October 2022

AbstractThe aim of this study was to investigate the amino acid composition and the amount of individual glycation compounds in hot trub formed during boiling of wort prepared from different malts. Compared to the initial amino acid composition of the used malts, some Maillard reaction products (namely MG-H1, pyrraline) and hydrophobic amino acids (leucine, isoleucine, valine, phenylalanine) accumulated in the hot trub, whereas hydrophilic amino acids remained in the boiled wort. For MG-H1, a threefold increase was observed during wort boiling, whereas the other Maillard reaction products, namely CML, CEL, pyrraline and maltosine increased only slightly (1.1–2-fold). Furosine as a hallmark for peptide-bound Amadori compounds showed a small decrease. The results suggest that mainly glycated amino acids derived from small dicarbonyl compounds such as methylglyoxal and glyoxal are formed during wort boiling. Furthermore, the studies indicate that the modification of the protein structure as a result of the Maillard reaction has an influence on the hydration of the denatured proteins during the wort boiling process, thus affecting the coagulation process and, therefore, precipitation of the hot trub. The work carried out contributes to the understanding of the chemical reactions influencing the amino acid and Maillard reaction product transfer from malt to beer.
Graphical abstract
Kilning invokes oxidative changes in malt proteins
Authors: Fleischer Kristina , Hellwig Michael 
Published: October 2022

AbstractBeneath glycation, oxidation reactions may take place at cereal proteins during production of malt. The extent of oxidative chemical changes at malt proteins has not yet been studied. In the present short communication, malt protein was characterized by the determination of free thiol groups and degree of methionine oxidation as well as the sites that are reactive to covalent modification by 2,4-dinitrophenylhydrazine (DNPH, “protein carbonylation”). Protein carbonylation in pale malts was around 1.5 nmol/mg protein and increased with increasing malt colour. Investigations on the protein pellet isolated for determination of carbonylation revealed that solubility and colour may disturb the quantification of carbonyl sites in roasted malts. Free thiols decreased with increasing malt colour already in pale malts (EBC < 10). The formation of methionine sulfoxide (MetSO) was intensified with increasing malt colour. An amount of 7–20% of methionine was converted to MetSO in pale and dark malt, whereas nearly 60% of methionine was oxidized to MetSO in roasted malts. The formation of methionine sulfone was negligible. This study shows that malt proteins suffer from oxidation during kilning, and future studies will have to show whether this supports the pro- or antioxidant activity of malt.
Effect of thermal and ultrasound treatments on denaturation and allergenic potential of Pru p 3 protein from peach
Authors: Tobajas Ana P. , Agulló-García Ana , Cubero José L. , Colás Carlos , Civera Alba , Condón Santiago , Sánchez Lourdes , Pérez María D. 
Published: October 2022

AbstractThe effect of thermal and ultrasound treatments on denaturation and allergenicity of Pru p 3, the major peach allergenic protein, was determined. The degree of denaturation of Pru p 3 was estimated by sandwich ELISA using specific rabbit IgG, that was previously developed. Validation of ELISA test showed high sensitivity and specificity, and acceptable results of precision and robustness. Allergenicity of Pru p 3 was determined by immunofluorescent assay using three pools of sera from peach allergic individuals. Denaturation of Pru p 3 was dependent on the intensity of the thermal treatment applied and the treatment medium. Thus, the degree of denaturation of Pru p 3 treated at 95 °C for 40 min was about 60% and 95%, for the protein heated in peach extract and in buffer, respectively. Ultrasound treatments denatured Pru p 3 up to 60%, being dependent on amplitude and pressure. However, both heat and ultrasound treatments at the most severe conditions applied inhibited less than 10% the IgE-binding of Pru p 3. These results indicate that although heat and ultrasound treatments induce a considerable denaturation of Pru p 3, they are not effective in reducing its allergenicity.
Graphical abstract
A meta-analysis of simulator sickness as a function of simulator fidelity
Authors: de Winkel Ksander N. , Talsma Tessa M. W. , Happee Riender 
Published: October 2022

AbstractDriving simulators are an increasingly important tool to develop vehicle functionalities and to study driver or passenger responses. A major hindrance to the use and validity of such studies is Simulator Sickness (SS). Several studies have suggested a positive relation between improvements in simulator fidelity and the likelihood of sickness. We hypothesized that this relation only holds true for static (fixed-base) simulators, and that increased fidelity in fact reduces simulator sickness in dynamic (moving-base) simulators. We performed a meta-analysis investigating the relation between sickness and fidelity in static and dynamic systems. A literature search yielded a total of 41 simulator studies that varied aspects of mechanical and/or visual fidelity and assessed SS for the same driving conditions and the same or equivalent participant groups. Evaluation of a model synthesizing the findings of these studies indicates that SS decreases with visual fidelity, and suggests that this effect may be negated for static simulators. The results of the modeling efforts thereby provide some support for the hypothesis that increased fidelity can reduce SS in dynamic simulators. Based on the evaluation of the literature we also note particular shortcomings and gaps in available research. Finally, we make recommendations for specific experiments that may fill these gaps and allow definitive conclusions on the role of simulator fidelity in SS.
Intramuscular Adipose Tissue Content as a Predictor of Incisional Hernia after Hepatic Resection
Authors: Nagaoka Tomoyuki , Sakamoto Katsunori , Ogawa Kohei , Ito Chihiro , Iwata Miku , Sakamoto Akimasa , Matsui Takashi , Nishi Yusuke , Shine Mikiya , Uraoka Mio , Honjo Masahiko , Utsunomiya Takeshi , Tamura Kei , Funamizu Naotake , Takada Yasutsugu 
Published: October 2022

AbstractBackgroundIncisional hernia (IH) is a common surgical complication, with an incidence of 6–31% following major abdominal surgery. This study aimed to investigate the impact of intramuscular adipose tissue content (IMAC) on the incidence of IH in patients who underwent hepatic resection.MethodsData of 205 patients who underwent open hepatic resection between 2007 and 2019 at Ehime University Hospital were retrospectively analyzed. Patient characteristics, perioperative findings, and body composition were compared between patients with IH and those without IH. The quantity and quality of skeletal muscle, calculated as skeletal muscle index and IMAC, were evaluated using preoperative computerized tomography images.ResultsForty (19.5%) patients were diagnosed with IH. The cumulative incidence rates were 15.6% at 1 year and 19.6% at 3 years. On univariate analysis, body mass index, areas of subcutaneous and visceral fat, and IMAC were significantly higher in the IH group than in the non‐IH group (p = 0.0023, 0.0070, 0.0047, and 0.0080, respectively). No significant difference in skeletal muscle index was found between the groups (p = 0.3548). The incidence of diabetes mellitus, intraoperative transfusion, and postoperative wound infection was significantly higher in the IH group than in the non‐IH group (p = 0.0361, 0.0078, and 0.0299, respectively). On multivariate analysis, a high IMAC and wound infection were independent risk factors for IH (adjusted odds ratio, 2.83 and 4.52, respectively; p = 0.0152 and 0.0164, respectively).ConclusionIMAC can predict the incidence of IH in patients undergoing hepatic resection.
Medial femoral condyle free flap for carpo-metacarpal instability following hamate comminute fracture
Authors: Borsetti Marco , Patanè Luca , Germano Silvia , Cavalieri Enrico 
Published: October 2022

AbstractComplete reconstruction of the hamate bone has been reported in the literature mostly following cancer excision or avascular necrosis. For the exiguity of the tissue deficit, bone grafting has usually been used as treatment option for its rapidity and easiness to perform, even if a variable amount of bone resorption may occur. In traumatic cases, microbial contamination may jeopardize the success of a well performed bone graft and vascularised bone grafts may represent a better reconstructive option. Here we describe the first case reported in the literature of a patient underwent complete hamate reconstruction following trauma with an osseous medial femoral condyle free flap as vascularized arthrodesis between the capitate and the 4th MTC base, in order to stabilize the 4th and 5th finger and the ulnar carpo-metacarpal joint.
Estimated specific antibody-based true sero-prevalences of canine filariosis in dogs in Central Europe and the UK
Authors: Fehr Jeannine E. , Schnyder Manuela , Joekel Deborah E. , Pantchev Nikola , Sarkunas Mindaugas , Torgerson Paul , Deplazes Peter 
Published: October 2022

Abstract
Dirofilariosis is a vector-borne disease mainly caused by Dirofilaria immitis and Dirofilaria repens. In contrast to the known endemicity of dirofilariosis in southern and south-eastern Europe, information on the distribution of D. repens in Central-Europe is fragmentary. We tested 8877 serum samples from dogs from Austria, Denmark, Germany, Italy, Lithuania, Poland, Switzerland and the UK using an ELISA detecting filarial-specific antibodies, hypothesising higher occurrence of D. repens. Based on two overlapping frequency distributions, presumed negative samples had a mean optical density (OD) value of 0.097, representing 97.45% of all samples. Presumed positive samples, representing 2.55% of all sera, had a mean OD value of 0.287. Test prevalence based on the calculated cut-off was 3.51% for all sera (4.36% for Austria, 1.94% for Denmark, 1.39% for Germany, 3.37% for Italy, 6.90% for Lithuania, 6.99% for Poland, 0.77% for Switzerland and 0.0% for the UK, respectively). The bimodal distribution, representing overlapping distributions of OD values from positive and negative dogs, enabled the assignment of a probability of true infection status to each dog. Mean probabilities of true infection status across groups, based on the postal codes of origin, allowed us to estimate and map true prevalences. For all countries, except the UK, the true prevalence was lower than the test prevalence. The large number of serum samples and the use of a non-gold standard analytical method allowed us to create a more realistic picture of the distribution of D. repens in Central Europe and the UK.