bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the nature of the phase transitions of aluminosilicate perrhenate sodalite
Authors: Petersen Hilke , Robben Lars , Gesing Thorsten M. 
Published: July 2020

Abstract
The temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD) were analysed via powder X-ray diffraction (PXRD), Raman spectroscopy and heat capacity measurements. ReO4-SOD shows two phase transitions in the investigated temperature range (13 K < T < 1480 K). The first one at 218.6(1) K is correlated to the transition of dynamically ordered

P

4
¯

3
n

$P\overline{4}3n$

(> 218.6(1 K) to a statically disordered (<218.6(1) K) SOD template in

P

4
¯

3
n

$P\overline{4}3n$

. The loss of the dynamics of the template anion during cooling causes an increase of disorder, indicated by an unusual intensity decrease of the 011-reflection and an increase of the Re-O2 bond length with decreasing temperature. Additionally, Raman spectroscopy shows a distortion of the ReO4 anion. Upon heating the thermal expansion of the sodalite cage originated in the tilt-mechanism causes the second phase transition at 442(1) K resulting in a symmetry-increase from

P

4
¯

3
n

$P\overline{4}3n$

to

P
m

3
¯

n

$Pm\overline{3}n$

, the structure with the sodalites full framework expansion. Noteworthy is the high decomposition temperature of 1320(10) K.
A new parallel version of a dichotomy based algorithm for indexing powder diffraction data
Authors: Šimeček Ivan , Zaloga Aleksandr , Trdlička Jan 
Published: July 2020

Abstract
One of the key parts of the crystal structure solution process from powder diffraction data is the determination of the lattice parameters from experimental data shortly called indexing. The successive dichotomy method is one of the most common ones for this process because it allows an exhaustive search. In this paper, we discuss several improvements for this indexing method that significantly reduces the search space and decrease the solution time. We also propose a combination of this method with other indexing methods: grid search and TREOR. The effectiveness and time-consumption of such algorithm were tested on several datasets, including orthorhombic, monoclinic, and triclinic examples. Finally, we discuss the impacts of the proposed improvements.
Combined influence of axial electron temperature and exponential plasma density ramp on the self-focusing of a chirped laser in plasma
Authors: Kant Niti , Thakur Vishal 
Published: July 2020

Abstract
An analysis of the self-focusing of highly intense chirped pulse laser under exponential plasma density ramp with higher order value of axial electron temperature has been done. Beam width parameter is derived by using paraxial ray approximation and then solved numerically. It is seen that self-focusing of chirped pulse laser is intensely affected by the higher order values of axial electron temperature. Further, influence of exponential plasma density ramp is studied and it is concluded that self-focusing of laser enhances and occurs earlier. On the other hand defocusing of beam reduces to the great extent. It is noticed that the laser spot size reduces significantly under joint influence of the density ramp and the axial electron temperature. Present analysis may be useful for the analysis of quantum dots, the laser induced fusion and etc.
Microwave synthesis of a blue luminescent silver(I) coordination polymer with a rigid tris-triazole ligand
Authors: Shi Juan , Xia Zhen-Xiang , Chen Sheng-Chun , He Ming-Yang , Chen Qun 
Published: July 2020

Abstract
Microwave-assisted hydrothermal reaction of 2-fluoro-3,5,6-tri(1H-1,2,4-triazol-1-yl)-1,4-benzenedicarbonitrile (L1) with silver(I) nitrate yields a coordination polymer [Ag3(L2)2(NO3)]
n
(1), in which the L2 ligand (HL2 = 2-hydroxy-3,5,6-tri(1H-1,2,4-triazol-1-yl)terephthalonitrile) is obtained by in situ ligand transformation from the L1 precursor. HL2 monohydrate has also been isolated by the microwave-mediated hydrolysis of L1 and structurally characterized. Single-crystal X-ray diffraction reveals that HL2 monohydrate comprises a zwitterionic HL2 moiety, while complex 1 displays an infinite L2-bridged double-chain structure. Given that the HL2 molecule has a large conjugated π system, complex 1 exhibits strong blue luminescence in the solid state at room temperature.
High-pressure synthesis and crystal structure of the samarium meta-oxoborate γ-Sm(BO2)3
Authors: Fuchs Birgit , Kindler Robert O. , Heymann Gunter , Huppertz Hubert 
Published: July 2020

Abstract

γ-Sm(BO2)3 was obtained via a high-pressure/high-temperature approach in a multi-anvil apparatus at 10 GPa and 1673 K. It crystallizes in the orthorhombic space group Pca21 (no. 29) with the lattice parameters a = 18.3088(8), b = 4.4181(2), and c = 4.2551(2) Å. The compound was analysed by means of X-ray diffraction and vibrational spectroscopy. The structure is isotypic to that of the already known meta-oxoborates γ-RE(BO2)3 (RE = La−Nd) and built up of a highly condensed borate framework containing three-, four-, six-, and ten-membered rings. Next to neodymium, samarium represents the second rare earth element that forms the α-, β-, and γ-modification of the four known rare earth meta-oxoborate structure types.
Al/N-based active Lewis pairs: isocyanate insertion products as efficient nucleophiles employed for the facile generation of highly functional molecules
Authors: Horstmann Julia Silissa , Hepp Alexander , Layh Marcus , Uhl Werner 
Published: July 2020

Abstract
The previously reported active Lewis pair (ALP)
i
Bu2Al–N(2-Ad)NC5H10 (1) (2-Ad = 2-adamantyl) is readily accessible by hydroalumination of the hydrazone H10C5N–N=(2-C10H14) with H–Al
i
Bu2. Treatment of 1 with two equivalents of isocyanates R-N=C=O yields six-membered AlC2N2O heterocycles 2 (2a, R = Ph; 2b, R = p-Tol) by dual insertion into the Al–N bonds. 2a reacts as a nucleophile with carboxylic acid chlorides R-C(O)–Cl [R = CH2

t
Bu, p-Tol, H2CCH(Me)C6H4(4-CH2CHMe2) (Ibu-profen acid chloride), 0.5 (1,4-C6H4)] to afford by elimination of
i
Bu2AlCl and hydrolysis new triuret derivatives R-C(O)[N(Ph)C(O)]2–N(2-Ad)NC5H10 (3a to 3d) as colourless, sparingly soluble solids in moderate (3c) to high (3b) yields. The analogous reaction of 2a with (p-Tol)–C(Cl)=N(p-Tol) leads to the imidoyl derivative (p-Tol)N=C(p-Tol)[N(Ph)C(O)]2–N(2-Ad)NC5H10 (4a), which showed a fast exchange of phenyl and tolyl groups to yield a mixture of isomers. The analogous reaction of 2b affords the corresponding compound 4b for which a single isomer is isolated despite the scrambling of substituents.
Mechanistic investigations on C–H activated dealkylating cyclo-amination reactions of substituted triazenes, formamidines and amidines
Authors: Preusser Silvio , Kalden Diana , Wendler Felix , Schönherr Paul R. W. , Görls Helmar , Westerhausen Matthias , Imhof Wolfgang 
Published: July 2020

Abstract
Catalytic dealkylating cycloamination reactions of N
1-methylated-N
1,N
3-diarylated triazenes proceed via two subsequent oxidative addition reactions, regioselectivity producing benzotriazoles by C–H and C–Br activation steps. Whereas palladium-based catalysis in the presence of dealkylating reagents and directing phosphane ligands leads to high yields, the homologous metals nickel and platinum as well as other 3d transition metals show only poor catalytic activity in similar procedures. Starting compounds have been widely varied to introduce potentially competing reaction sites and to investigate the reaction mechanism of the catalytic cyclization reactions. Yields of the benzotriazole synthesis strongly depend on the electronic and steric properties of the directing phosphane ligands, the nature of the dealkylating bases and the substitution pattern in 2- and 4-position of the aryl groups of the starting triazenes. In order to clarify the role of the catalyst, palladium-based intermediates were identified. Finally, formamidines and bulky amidines were tested in related C–H activated dealkylating cycloamination reactions.
High-pressure synthesis and characterization of the non-centrosymmetric scandium borate ScB6O9(OH)3
Authors: Fuchs Birgit , Huppertz Hubert 
Published: July 2020

Abstract
The non-centrosymmetric scandium borate ScB6O9(OH)3 was obtained through a high-pressure/high-temperature experiment at 6 GPa and 1473 K. Single-crystal X-ray diffraction revealed that the structure is isotypic to InB6O9(OH)3 containing borate triple layers separated by scandium layers. The compound crystallizes in the space group Fdd2 with the lattice parameters a = 38.935(4), b = 4.4136(4), and c = 7.6342(6) Å. Powder X-ray diffraction and vibrational spectroscopy were used to further characterize the compound and verify the proposed structure solution.
Al5B12O25(OH) and Ga4InB12O25(OH) – two additional triel borates with the structure type M
5B12O25(OH) (M = Ga, In)
Authors: Vitzthum Daniela , Wimmer Daniel S. , Widmann Ingo , Huppertz Hubert 
Published: July 2020

Abstract
The isotypic triel borates Al5B12O25(OH) and Ga4InB12O25(OH) were synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 12.0 GPa/1400 °C and 12.3 GPa/1200 °C, respectively. The crystal structures of both compounds, determined by single-crystal X-ray diffraction, constitute new representatives of the structure type M
5B12O25(OH) (M = Ga, In) crystallizing in the space group I41/acd. The presence of the hydroxyl groups was confirmed via single-crystal IR spectroscopy.
Bioactivity-guided isolation of aurone derivatives with hepatoprotective activities from the fruits of Cucumis bisexualis
Authors: Ma Qin-Ge , Wei Rong-Rui , Sang Zhi-Pei 
Published: July 2020

Abstract
Bioactivity-guided phytochemical investigation of Cucumis bisexualis has led to the isolation of three new coumarin-aurone heterodimers (1-3), along with six aurone derivatives (4-9) were isolated from C. bisexualis for the first time. Their structures were determined by their extensive spectroscopic data and comparison with the values reported in the references. All isolated compounds (1-9) were evaluated for their hepatoprotective activities on human L-O2 cells, which compared with positive control of Bifendatatum. Among them, compounds 1, 2, and 7 exhibited moderate hepatoprotective activities to promote effects on the proliferation of L-O2 cells.
Overexpression of a novel E3 ubiquitin ligase gene from Coptis chinensis Franch enhances drought tolerance in transgenic tobacco
Authors: Chen Hanting , Li Junjun , He Yang 
Published: July 2020

Abstract
Drought stress has a significant effect on the growth, physiology and biochemistry of medicinal plants. SDIR1 (Salt- and Drought-Induced Ring Finger1), a C3H2C3-type RING-finger E3 ubiquitin ligase gene plays an important role in the stress response of various plants. However, the role of this gene is not clear in Coptis chinensis. In this study, the CcSDIR1 gene was cloned from C. chinensis using RACE and RT-PCR. Sequence analysis revealed that CcSDIR1 had an open reading frame of 840 bp that encodes 279 amino acids with a theoretical molecular weight about 31 kDa and pI value of 5.65 and shared conserved domains with other plants. On comparison with the wild-type plants, overexpression of CcSDIR1 in transgenic tobaccos increased drought tolerance and showed better growth performance. However, lower malondialdehyde contents and high antioxidant enzyme activities were observed in transgenic tobacco plants compared to wild-type plants. In addition, Evans blue staining showed high cell viability of transgenic lines under drought stress. These results suggest that CcSDIR1 regulates various responses to drought stress by increasing antioxidant enzyme activities and reducing oxidative damage. From the study results, the CcSDIR1 gene will be very useful for drought stress research in plants.
The Internet as a “Public Sphere”
Authors: Matačinskaitė Jurgita 
Published: July 2020

This paper considers the theory of the Internet becoming part of the “public sphere”. The first part of the paper looks at how the concept of the public sphere was used by different scholars and how they defined the theory of the “public sphere”. The second part of the paper analyses how the theory about the public sphere defined by different scholars works on the practical level.Keywords: internet, network society, newspaper, public sphere, New York Times, virtuality, website.
Productivity and its Factors: Impact on Organizational Improvement
Authors: Fontalvo-Herrera Tomás José , De la Hoz-Granadillo Efrain , Morelos-Gomez Jose 
Published: July 2020

This article is a reflection on the productivity in organizational processes, was prepared on the basis of the research of secondary sources associated with articles in indexed journals and the contributions made by the authors from their academic and professional experience. It analyzes the meaning and the components of the productivity, identified what are the internal and external factors that determine the levels of productivity in the organizations, then, highlights the role played by the human resource in the scope of the proposed goals and objectives at the corporate level, and its relationship with other important aspects of the company as are the costs and quality management. It also analyzes the impact of the quality management systems in the productivity of organizations. It also addresses some of the basic aspects that must be taken into account to measure the productivity of the processes and factors in the company as indicators of economic growth.El presente artículo constituye una reflexión acerca de la productividad en los procesos organizacionales, fue elaborado a partir de la investigación de fuentes secundarias asociadas a artículos de revistas indexadas y los aportes realizados por los autores desde su experiencia académica y profesional. En éste se analiza el significado y los componentes de la productividad, identificado cuales son los factores externos e internos que determinan los niveles de productividad en las organizaciones, seguidamente, se destaca el papel que juega el recurso humano en el alcance de las metas y objetivos propuestos a nivel empresarial, y su relación, con otros aspectos importantes de la empresa como son los costos y la gestión de calidad. Se analiza también el impacto de los sistemas de gestión de calidad en la productividad de las organizaciones. También se aborda algunos aspectos básicos que se deben tener en cuenta para efectuar la medición de la productividad de los procesos y los factores en la empresa como indicadores de crecimiento económico.Este artigo é uma reflexão sobre a produtividade nos processos organizacionais, foi elaborado com base na pesquisa de fontes secundárias associadas a artigos em revistas indexadas e as contribuições feitas pelos autores de sua experiência acadêmica e profissional. Analisa o significado e os componentes da produtividade, identificou quais são os fatores internos e externos que determinam os níveis de produtividade nas organizações e destaca o papel desempenhado pelo recurso humano no escopo das metas e objetivos propostos no nível corporativo e sua relação com outros aspectos importantes da empresa, assim como os custos e gerenciamento de qualidade. Analisa também o impacto dos sistemas de gestão da qualidade na produtividade das organizações. Também aborda alguns dos aspectos básicos que devem ser levados em consideração para medir a produtividade dos processos e fatores na empresa como indicadores do crescimento econômico.
Operative Management of Rib Synostosis and Malunion
Authors: Marigi Erick M. , Dugarte Anthony J. , Cole Peter. A 
Published: July 2020

Case:
We present a complex case of a 56-year-old man with multiple left-sided rib pathology including nonunion, rib heterotopic ossification (HO) forming a rib-to-rib synostosis, and rib malunion. After a major forequarter trauma and failed conservative management, followed by scapula reconstruction and rib recontouring, the surgical resection of the rib synostosis, reconstruction of a rib nonunion, and contouring of rib malunions are described. The patient was followed up clinically for 1 year after the final procedure and demonstrated marked improvement in functional outcome.

Conclusion:
In the setting of complex forequarter malunion and nonunion, resolution of painful rib nonunion and synostosis can be effectively managed with HO resection and rib reconstruction.
A Case Report of a 44-Year-Old Woman With Camurati-Englemann Disease
Authors: Owhonda Rebisi A. , Wells Joel E. , Lloyd Eric W. , Mumm Steven , Kimonis Virginia 
Published: July 2020

Case:
A 44-year-old woman presented with easy fatigability, diplopia, dizziness, and a 2-year history of pelvic, hip, and lower extremity aching and pain. Radiograph, magnetic resonance imaging, computed tomography, and histopathologic imaging studies were obtained. Hypersclerosis of the affected bones led to the initiation of a sclerotic bone dysplasia workup and sequencing of the transforming growth factor beta 1 gene located on chromosome 19q13 revealed a heterozygous rare missense variant in exon-4, leading to a final diagnosis of Camurati-Engelmann disease (CED). Medical treatment thus far has had a minimal effect on her symptoms, and the patient continues to be followed.

Conclusions:
This specific mutation has been reported only once previously in a patient with CED. This case report expands the typical phenotype associated with CED in association with the c.667T>C, p.Cys223Arg variant.
Actinomycotic Osteomyelitis of the Hand and Wrist Treated with Pharmacotherapy Alone
Authors: Sethy Siddharth Sekhar , Singh Vivek , Choudhury Arghya Kundu , Singh Gobinder , Gupta Puneet Kumar , Mehta Vibha 
Published: July 2020

Case:
Primary infection by Actinomyces is uncommon because susceptibility to infection requires breakdown of the normal protective mucosal barrier. Furthermore, involvement of the upper extremity is rare. This case report presents clinical, radiological, and pathological findings in a 26-year-old patient with actinomycosis of the hand that was treated successfully by pharmacotherapy alone without any surgical debridement.

Conclusion:
Primary actinomycoses of the hand and upper extremity present as a challenging condition. It requires a high index of clinical suspicion and histopathologic diagnosis to guide treatment, typically involving antimicrobial therapy. This case highlights the usefulness of conservative treatment with antimicrobial therapy without surgical debridement.
Bilateral Femoral Neck Fractures in the Setting of Bilateral Slipped Capital Femoral Epiphysis
Authors: Perkins Crystal A. , Alexeev Mikhail , Schrader Tim 
Published: July 2020

Case:
A 16-year-old adolescent boy with autism and vitamin D deficiency sustained a seizure and had bilateral femoral neck fractures and slipped capital femoral epiphysis (SCFEs). He underwent closed reduction and screw stabilization of femoral neck fractures with incorporation of in situ screw fixation of SCFEs. Intraosseous epiphyseal perfusion monitoring was used to confirm the perfusion of the femoral head. Two years postoperatively, he had healed fractures and no evidence for avascular necrosis.

Conclusion:
A femoral neck fracture in the setting of a SCFE can be treated with closed reduction of the femoral neck fracture and screw fixation. Intraepiphyseal perfusion monitoring can be used to qualitatively assess femoral head perfusion.
Recurrent Giant Apocrine Hidrocystoma of the Leg
Authors: Boddapati Venkat , Aderibigbe Temidayo , Gimenez Eva Vera , Sarpong Nana O. , Tyler Wakenda K. 
Published: July 2020

Case:
A 26-year-old woman developed a painful enlarging mass in her left leg over the course of 4 years. Marginal resection and local adjuvant therapy was undertaken, and pathology confirmed the mass to be an apocrine hidrocystoma.

Conclusion:
Giant apocrine hidrocystomas with osseous involvement outside of the head and neck are extremely rare. Although these tumors have a low recurrence rate, this case presents a single giant apocrine hidrocystoma that recurred and was successfully treated.
Flexor Compartment Infection Secondary to Bovine Injection Needlestick Injury
Authors: Reasoner Kaitlyn , Gebhart Sandra S. , Lee Donald H. 
Published: July 2020

Case:
Animal injection–related needlestick injuries are a common occupational hazard for livestock workers and veterinarians. Although often unreported, these injuries can cause significant damage and may require extensive medical and surgical management. This case describes a 69-year-old farmer who accidentally injected his forearm while vaccinating cattle, resulting in a flexor compartment infection. Conservative management with oral and intravenous antibiotics was unsuccessful, and he required multiple surgical debridements for definitive treatment

Conclusions:
Animal injection–related needlestick injuries can present unique challenges to orthopaedic surgeons. Important considerations include the injury location, needle type, vaccine volume and components, injection pressure, and environmental contaminants.
Surgical Treatment of Acute Periprosthetic Knee Infection with Concurrent Presumed COVID-19
Authors: Sunkin Jonathan A. , Lindsey Matthew H. , Stenquist Derek S. , Fuller Brian C. , Chen Antonia F. , Shah Vivek M. 
Published: July 2020

Case:
We report the case of a 64-year-old man who presented with a late onset of acute periprosthetic joint infection after total knee arthroplasty and a positive severe acute respiratory syndrome coronavirus 2 polymerase chain reaction test. We describe our perioperative protocol and challenges for ensuring the safety of healthcare providers while operating on a coronavirus disease 2019 (COVID-19)-positive patient.

Conclusions:
Given the incredible spread of COVID-19 globally, hospitals should anticipate perioperative protocols for the surgical management of COVID-19-positive patients with concurrent pathology to ensure safety to healthcare providers.
Periprosthetic Joint Infection
Authors: Miller Ryan , Higuera Carlos A. , Wu Janet , Klika Alison , Babic Maja , Piuzzi Nicolas S. 
Published: July 2020

» A team approach among orthopaedic surgeons, infectious disease specialists, and patients is of paramount importance when treating periprosthetic joint infections (PJIs). Treatment usually includes various surgical approaches along with antibiotic treatment.» Antibiotic selection requires a multifactorial decision that depends on the organism that is identified, its antibiotic-resistance profile, the extent of the infection, and factors associated with the host.» Antibiotic duration is dependent on surgical intervention and the type of organism. Typically, patients are treated for 6 weeks after debridement, antibiotics, and implant retention (DAIR) and for 4 to 6 weeks after single-stage and 2-stage revision arthroplasty.» Levofloxacin in combination with rifampin has shown favorable outcomes for Staphylococcus PJI treatment. Quinolones have excellent bioavailability and bone and joint concentrations. Ciprofloxacin can be used for sensitive gram-negative infections.» Evidence is emerging that supports the use of oral antibiotics after 7 days of intravenous antibiotics for the treatment of PJI. Although this should be considered carefully, it can potentially alleviate the burden on patients and caregivers, with fewer intravenous lines and the potential for fewer complications.