bluuebunny/crossref_metadata_2025_split huggingface dataset:
Alkali Metal Dithiocarbamato Carboxylates (DTCCs) – Synthesis, Properties, and Crystal Structures
Authors: Liebing Phil , Heinrich Julian , Witzorke Juliane , Kühling Marcel , Busse Sabine , Swanson Claudia 
Published: November 2021

AbstractA series of alkali metal salts of dithiocarbamate‐substituted carboxylate (DTCC) anions were prepared by reaction of the parent amino acids with carbon disulfide and an alkali metal hydroxide. The target compounds, which were isolated in anhydrous form or as hydrates, were extensively characterized by elemental analyses, IR and NMR spectroscopy, thermal analyses, cyclic voltammetry, and single‐crystal X‐ray diffraction. The isolated compounds are more or less hygroscopic and display a varying dehydratization and decomposition behavior upon heating. The assumed degradation of the DTCC scaffold was found to depend on the substitution pattern as well as on the alkali metal counterion, and covers a range between 200 and 340 °C. In aqueous solution, the DTCC anions show irreversible electrochemical oxidations, where the corresponding redox potentials are governed by the substitution pattern of the nitrogen atom. Single‐crystal structural analyses of sodium and potassium derivatives revealed that these compounds exist as two‐ or three‐dimensional coordination polymers in the solid state, with the alkali‐metal ions adopting typical irregular coordination environments with coordination numbers of six or higher.
Programmable Self‐Regulation with Wrinkled Hydrogels and Plasmonic Nanoparticle Lattices
Authors: Lee Young‐Ah Lucy , Mousavikhamene Zeynab , Amrithanath Abhishek Kottaram , Neidhart Suzanne M. , Krishnaswamy Sridhar , Schatz George C. , Odom Teri W. 
Published: November 2021

AbstractThis paper describes a self‐regulating system that combines wrinkle‐patterned hydrogels with plasmonic nanoparticle (NP) lattices. In the feedback loop, the wrinkle patterns flatten in response to moisture, which then allows light to reach the NP lattice on the bottom layer. Upon light absorption, the NP lattice produces a photothermal effect that dries the hydrogel, and the system then returns to the initial wrinkled configuration. The timescale of this regulatory cycle can be programmed by tuning the degree of photothermal heating by NP size and substrate material. Time‐dependent finite element analysis reveals the thermal and mechanical mechanisms of wrinkle formation. This self‐regulating system couples morphological, optical, and thermo‐mechanical properties of different materials components and offers promising design principles for future smart systems.
Ultra‐strong phosphorescence with 48% quantum yield from grinding treated thermal annealed carbon dots and boric acid composite
Authors: Li Qijun , Zhao Zhenxiao , Meng Shuai , Li Yuchen , Zhao Yunyang , Zhang Bohan , Tang Zikang , Tan Jing , Qu Songnan 
Published: November 2021

AbstractMetal‐free room‐temperature phosphorescence (RTP) materials are of great significance for many applications; however, they usually exhibit low efficiency and weak intensity. This article reports a new strategy for the preparation of a high‐efficiency and strong RTP materials from crystalline thermal‐annealed carbon dots (CDs) and boric acid (BA) composite (g‐t‐CD@BA) through grinding‐induced amorphous to crystallization transition. Amorphous thermal‐annealed CDs and BA composite (t‐CD@BA) is prepared following a thermal melting and super‐cooling route, where the CDs are fully dispersed in molten BA liquid and uniformly frozen in an amorphous thermal annealed BA matrix after super‐cooling to room temperature. Upon grinding treatment, the fracture and fragmentation caused by grinding promote the transformation of the high‐energy amorphous state to the lower energy crystalline counterparts. As a result, the CDs are uniformly in situ embedded in the BA crystal matrix. This method affords maximum uniform embedding of the CDs in the BA crystals, decreases nonradiative decay, and promotes intersystem crossing by restraining the free vibration of the CDs, thus producing strong RTP materials with the highest reported phosphorescence quantum yield (48%). Remarkably, RTP from g‐t‐CD@BA powder is strong enough to illuminate items with a delay time exceeding 9 s.
3D Atomic Structure of Supported Metallic Nanoparticles Estimated from 2D ADF STEM Images: A Combination of Atom‐Counting and a Local Minima Search Algorithm
Authors: Arslan Irmak Ece , Liu Pei , Bals Sara , Van Aert Sandra 
Published: November 2021

AbstractDetermining the 3D atomic structure of nanoparticles (NPs) is critical to understand their structure‐dependent properties. It is hereby important to perform such analyses under conditions relevant for the envisioned application. Here, the 3D structure of supported Au NPs at high temperature, which is of importance to understand their behavior during catalytic reactions, is investigated. To overcome limitations related to conventional high‐resolution electron tomography at high temperature, 3D characterization of NPs with atomic resolution has been performed by applying atom‐counting using atomic resolution annular dark‐field scanning transmission electron microscopy (ADF STEM) images followed by structural relaxation. However, at high temperatures, thermal displacements, which affect the ADF STEM intensities, should be taken into account. Moreover, it is very likely that the structure of an NP investigated at elevated temperature deviates from a ground state configuration, which is difficult to determine using purely computational energy minimization approaches. In this paper, an optimized approach is therefore proposed using an iterative local minima search algorithm followed by molecular dynamics structural relaxation of candidate structures associated with each local minimum. In this manner, it becomes possible to investigate the 3D atomic structure of supported NPs, which may deviate from their ground state configuration.
The effect of a student–teacher–scientist partnership program on high school students' science achievement and attitudes about scientists
Authors: Taylor Joseph A. , Adams Catrina T. , Westbrook Anne L. , Creasap Gee Jodi , Spybrook Jessaca K. , Kowalski Susan M. , Gardner April L. , Bloom Mark 
Published: November 2021

AbstractThis article describes the effects of a student–teacher–scientist partnership program on high school students' science outcomes. The design was a cluster‐randomized trial with an analytic sample of 36 teachers randomly assigned to teach a photosynthesis‐ and respiration‐focused module including student‐designed investigations supported by online mentoring from scientists. Forty‐nine teachers were randomly assigned to teach photosynthesis and respiration to students as they normally would. The core finding was that implementing the module in combination with the online mentoring resulted in significant effects on student achievement (effect size = 0.284) and attitudes toward scientists (effect size = 0.280). The study sample was highly representative, demographically, to the US population of high schools. Future research should replicate the current study design, with the current and other related interventions, while examining component‐specific costs and efficacy. Related studies should also examine the relationship between the quality of scientist–student dialogue and student outcomes.
Which Aspect of Firm Performance is Important for the Choice of Globalization Mode?
Authors: Jinji Naoto , Zhang Xingyuan , Haruna Shoji 
Published: November 2021

AbstractThe relationship between firm performance and the choice of globalization mode, such as exports, foreign direct investment (FDI), and foreign outsourcing (FO), has been extensively investigated. For example, Melitz (2003) theoretically predicts a premium in productivity for firms engaging in exporting goods, relative to those supplying goods only to their domestic markets.
Does Tobin’s q Matter for a Firm’s Choice of Globalization Mode?
Authors: Jinji Naoto , Zhang Xingyuan , Haruna Shoji 
Published: November 2021

AbstractFor the last two decades, sorting of firms by productivity into different modes of globalization has been well documented both theoretically and empirically in the trade literature. Melitz (2003) presents a model in which the most productive firms export goods to foreign markets, whereas less productive firms supply goods only to their domestic market.
Genome analysis suggests the bacterial family Acetobacteraceae is a source of undiscovered specialized metabolites
Authors: Guzman Juan , Vilcinskas Andreas 
Published: November 2021

AbstractAcetobacteraceae is an economically important family of bacteria that is used for industrial fermentation in the food/feed sector and for the preparation of sorbose and bacterial cellulose. It comprises two major groups: acetous species (acetic acid bacteria) associated with flowers, fruits and insects, and acidophilic species, a phylogenetically basal and physiologically heterogeneous group inhabiting acid or hot springs, sludge, sewage and freshwater environments. Despite the biotechnological importance of the family Acetobacteraceae, the literature does not provide any information about its ability to produce specialized metabolites. We therefore constructed a phylogenomic tree based on concatenated protein sequences from 141 type strains of the family and predicted the presence of small-molecule biosynthetic gene clusters (BGCs) using the antiSMASH tool. This dual approach allowed us to associate certain biosynthetic pathways with particular taxonomic groups. We found that acidophilic and acetous species contain on average ~ 6.3 and ~ 3.4 BGCs per genome, respectively. All the Acetobacteraceae strains encoded proteins involved in hopanoid biosynthesis, with many also featuring genes encoding type-1 and type-3 polyketide and non-ribosomal peptide synthases, and enzymes for aryl polyene, lactone and ribosomal peptide biosynthesis. Our in silico analysis indicated that the family Acetobacteraceae is a potential source of many undiscovered bacterial metabolites and deserves more detailed experimental exploration.
A catalog of curated breast cancer genes
Authors: Bose Muthiah , Benada Jan , Thatte Jayashree Vijay , Kinalis Savvas , Ejlertsen Bent , Nielsen Finn Cilius , Sørensen Claus Storgaard , Rossing Maria 
Published: November 2021

Abstract
Purpose
Decades of research have identified multiple genetic variants associated with breast cancer etiology. However, there is no database that archives breast cancer genes and variants responsible for predisposition. We set out to build a dynamic repository of curated breast cancer genes.

Methods
A comprehensive literature search was performed in PubMed and Google Scholar, followed by data extraction and harmonization for downstream analysis.

Results
Using a subset of 345 studies, we cataloged 652 breast cancer-associated loci across the genome. A majority of these were present in the non-coding region (i.e., intergenic (101) and intronic (345)), whereas only 158 were located within an exon. Using the odds ratio, we identified 429 loci to increase the disease risk and 198 to confer protection against breast cancer, whereas 25 were identified to both increase disease risk and confer protection against breast cancer. Chromosomal ideogram analysis indicated that chromosomes 17 and 19 have the highest density of breast cancer loci. We manually annotated and collated breast cancer genes in which a previous association between rare-monogenic variant and breast cancer has been documented. Finally, network and functional enrichment analysis revealed that steroid metabolism and DNA repair pathways were predominant among breast cancer genes and variants.

Conclusions
We have built an online interactive catalog of curated breast cancer genes (https://cbcg.dk). This will expedite clinical diagnostics and support the ongoing efforts in managing breast cancer etiology. Moreover, the database will serve as an essential repository when designing new breast cancer multigene panels.
Using deep learning method to identify left ventricular hypertrophy on echocardiography
Authors: Yu Xiang , Yao Xinxia , Wu Bifeng , Zhou Hong , Xia Shudong , Su Wenwen , Wu Yuanyuan , Zheng Xiaoye 
Published: November 2021

Abstract
Background
Left ventricular hypertrophy (LVH) is an independent prognostic factor for cardiovascular events and it can be detected by echocardiography in the early stage. In this study, we aim to develop a semi-automatic diagnostic network based on deep learning algorithms to detect LVH.

Methods
We retrospectively collected 1610 transthoracic echocardiograms, included 724 patients [189 hypertensive heart disease (HHD), 218 hypertrophic cardiomyopathy (HCM), and 58 cardiac amyloidosis (CA), along with 259 controls]. The diagnosis of LVH was defined by two experienced clinicians. For the deep learning architecture, we introduced ResNet and U-net++ to complete classification and segmentation tasks respectively. The models were trained and validated independently. Then, we connected the best-performing models to form the final framework and tested its capabilities.

Results
In terms of individual networks, the view classification model produced AUC = 1.0. The AUC of the LVH detection model was 0.98 (95% CI 0.94–0.99), with corresponding sensitivity and specificity of 94.0% (95% CI 85.3–98.7%) and 91.6% (95% CI 84.6–96.1%) respectively. For etiology identification, the independent model yielded good results with AUC = 0.90 (95% CI 0.82–0.95) for HCM, AUC = 0.94 (95% CI 0.88–0.98) for CA, and AUC = 0.88 (95% CI 0.80–0.93) for HHD. Finally, our final integrated framework automatically classified four conditions (Normal, HCM, CA, and HHD), which achieved an average of AUC 0.91, with an average sensitivity and specificity of 83.7% and 90.0%.

Conclusion
Deep learning architecture has the ability to detect LVH and even distinguish the latent etiology of LVH.
On the second largest eigenvalue of some Cayley graphs of the symmetric group
Authors: Siemons Johannes , Zalesski Alexandre 
Published: November 2021

AbstractLet $$S_n$$

S
n

and $$A_{n}$$

A
n

denote the symmetric and alternating group on the set $$\{1,\ldots ,n\},$$

{
1
,
…
,
n
}
,

respectively. In this paper we are interested in the second largest eigenvalue $$\lambda _{2}(\Gamma )$$

λ
2

(
Γ
)

of the Cayley graph $$\Gamma =\mathrm{Cay}(G,H)$$

Γ
=
Cay
(
G
,
H
)

over $$G=S_{n}$$

G
=

S
n

or $$A_{n}$$

A
n

for certain connecting sets H. Let $$1<k\le n$$

1
<
k
≤
n

and denote the set of all k-cycles in $$S_{n}$$

S
n

by C(n, k). For $$H=C(n,n)$$

H
=
C
(
n
,
n
)

we prove that $$\lambda _{2}(\Gamma )=(n-2)!$$

λ
2

(
Γ
)

=

(
n
-
2
)

!

(when n is even) and $$\lambda _{2}(\Gamma )=2(n-3)!$$

λ
2

(
Γ
)

=
2

(
n
-
3
)

!

(when n is odd). Further, for $$H=C(n,n-1)$$

H
=
C
(
n
,
n
-
1
)

we have $$\lambda _{2}(\Gamma )=3(n-3)(n-5)!$$

λ
2

(
Γ
)

=
3

(
n
-
3
)

(
n
-
5
)

!

(when n is even) and $$\lambda _{2}(\Gamma )=2(n-2)(n-5) !$$

λ
2

(
Γ
)

=
2

(
n
-
2
)

(
n
-
5
)

!

(when n is odd). The case $$H=C(n,3)$$

H
=
C
(
n
,
3
)

has been considered in Huang and Huang (J Algebraic Combin 50:99–111, 2019). Let $$1\le r<k<n$$

1
≤
r
<
k
<
n

and let $$C(n,k;r) \subseteq C(n,k)$$

C
(
n
,
k
;
r
)
⊆
C
(
n
,
k
)

be set of all k-cycles in $$S_{n}$$

S
n

which move all the points in the set $$\{1,2,\ldots ,r\}.$$

{
1
,
2
,
…
,
r
}
.

That is to say, $$g=(i_{1},i_{2},\ldots ,i_{k})(i_{k+1})\dots (i_{n})\in C(n,k;r)$$

g
=

(

i
1

,

i
2

,
…
,

i
k

)

(

i

k
+
1

)

⋯

(

i
n

)

∈
C

(
n
,
k
;
r
)

if and only if $$\{1,2,\ldots ,r\}\subset \{i_{1},i_{2},\ldots ,i_{k}\}.$$

{
1
,
2
,
…
,
r
}

⊂

{

i
1

,

i
2

,
…
,

i
k

}

.

Our main result concerns $$\lambda _{2}(\Gamma )$$

λ
2

(
Γ
)

, where $$\Gamma =\mathrm{Cay}(G,H)$$

Γ
=
Cay
(
G
,
H
)

with $$H=C(n,k;r)$$

H
=
C
(
n
,
k
;
r
)

with $$1\le r<k<n$$

1
≤
r
<
k
<
n

when $$G=S_{n}$$

G
=

S
n

if k is even and $$G=A_{n}$$

G
=

A
n

if k is odd. Here we observe that $$\begin{aligned} \lambda _{2}(\Gamma )\ge (k-2)! {n-r \atopwithdelims ()k-r} \frac{1}{n-r} \big ((k-1)(n-k) - \frac{(k-r-1)(k-r)}{n-r-1}\big ). \end{aligned}$$

λ
2

(
Γ
)

≥

(
k
-
2
)

!

n
-
r

k
-
r

1

n
-
r

(

(
k
-
1
)

(
n
-
k
)

-

(
k
-
r
-
1
)
(
k
-
r
)

n
-
r
-
1

)

.

We prove that this bound is attained in the special case $$k=r+1$$

k
=
r
+
1

, giving $$\lambda _{2}(\Gamma )=r!(n-r-1)$$

λ
2

(
Γ
)

=
r
!

(
n
-
r
-
1
)

. The cases with $$H=C(n,3;1)$$

H
=
C
(
n
,
3
;
1
)

and $$H=C(n,3;2)$$

H
=
C
(
n
,
3
;
2
)

were considered earlier in [6].
An unified formulation of strong non-local elasticity with fractional order calculus
Authors: Alotta Gioacchino , Di Paola Mario , Pinnola Francesco Paolo 
Published: November 2021

AbstractThe research of a formulation to model non-local interactions in the mechanical behavior of matter is currently an open problem. In this context, a strong non-local formulation based on fractional calculus is provided in this paper. This formulation is derived from an analogy with long-memory viscoelastic models. Specifically, the same kind of power-law time-dependent kernel used in Boltzmann integral of viscoelastic stress-strain relation is used as kernel in the Fredholm non-local relation. This non-local formulation leads to stress-strain relation based on the space Riesz integral and derivative of fractional order. For unbounded domain, proposed model can be defined in stress- and in strain-driven formulation and in both cases the stress–strain relation represent a strong non-local model. Also, the proposed strain driven and stress driven formulations defined in terms of Riesz operators are proved to be fully consistent each another. Moreover, the proposed model posses a mechanical meaning and for unbounded non-local rod is described and discussed in detail.
Application of Electron Beam Welding Technique for Joining Ultrafine-Grained Aluminum Plates
Authors: Orłowska Marta , Pixner Florian , Majchrowicz Kamil , Enzinger Norbert , Olejnik Lech , Lewandowska Małgorzata 
Published: November 2021

Abstract
The present study is the first attempt to join ultrafine-grained materials by electron beam welding. The aim of the study was to check the feasibility and effectiveness of this type of welding for thermally unstable materials. The results obtained are of high interest, while the welding did cause a decline in mechanical properties, the results were comparable to those obtained using solid-state welding, but with a significant advantage of narrower fusion- and heat-affected zones.
The Unrealized Potential of National Human Rights Institutions in Business and Human Rights Regulation: Conditions for Effective Engagement and Proposal for Reform
Authors: Wolfsteller René 
Published: November 2021

AbstractWhile National Human Rights Institutions (NHRIs) are widely regarded as particularly promising tools in the emerging transnational regime for the regulation of business and human rights, we still know little about their potential and actual contribution to this field. This article bridges the gap between business and human rights research and NHRI scholarship, proceeding in three steps: Firstly, I analyze the structural conditions for NHRIs to tackle business-related human rights abuses effectively, focusing on the key conditions of legitimacy and competences. Secondly, I examine the envisaged role and functions of NHRIs in business and human rights regulation according to the Paris Principles and the UN Guiding Principles. Thirdly, I reconstruct and critically assess NHRIs’ mandates and powers to address corporate human rights abuse, based on the analysis of surveys and reports. I argue that there is a significant mismatch between the essential structural conditions for effective NHRI engagement with business and human rights, the expected contribution of NHRIs to the prevention and remedy of corporate human rights abuses, and the limitations of their mandates and powers in practice. To overcome that misalignment and unlock NHRIs’ full potential, this article proposes a reform of the Paris Principles which would provide these institutions with a robust source of international legitimacy and increase the pressure on state governments to extend their powers.
Constant cycle and co-isotropic subvarieties in a Mukai system
Authors: Hellmann Isabell 
Published: November 2021

AbstractCombining theorems of Voisin and Marian, Shen, Yin and Zhao, we compute the dimensions of the orbits under rational equivalence in the Mukai system of rank two and genus two. We produce several examples of algebraically coisotropic and constant cycle subvarieties.
A revision of Ziziphus (Rhamnaceae) in Borneo
Authors: Cahen Daniel , Rickenback Jessica , Utteridge Timothy M. A. 
Published: November 2021

SummaryThe genusZiziphus(Rhamnaceae) is revised for Borneo. 13 species are recognised using morphological evidence, including three new endemic species:Ziziphus cuspidata,Z. domatiataandZ. puberula. Borneo is therefore the island with the greatest known diversity ofZiziphusspecies. The area surrounding Mount Kinabalu is particularly diverse, with nine species occurring in Ranau. Two new varieties ofZ. borneensisare also described here,Z. borneensisvar.ranggamandZ. borneensisvar.velutina, five new synonyms are established, including the placement ofZ. elmerias a synonym ofColubrina beccariana. A taxonomic treatment, including a preliminary IUCN conservation status assessment, is presented for each species and variety.
Lebenssituation und Perspektiven junger Menschen ohne festen Wohnsitz
Authors: Beierle Sarah , Hoch Carolin 
Published: November 2021

ZusammenfassungDer Beitrag stellt zentrale Ergebnisse einer Befragung vor, in der versucht wurde, die Lebenssituation von wohnungslosen oder obdachlosen Jugendlichen und jungen Erwachsenen in drei deutschen Großstädten quantitativ zu erheben. Die Wohnsituation von „Straßenjugendlichen“ scheint dadurch, dass viele Betroffene zwischenzeitlich immer wieder bei Freunden oder Bekannten unterkommen, in erheblichem Maße durch Wohnungslosigkeit geprägt. Das Durchschnittsalter des Eintritts in eine Straßenkarriere liegt bei 16 bis 17 Jahren. Die befragten Jugendlichen sind von multiplen, insbesondere familiären Problemlagen betroffen, geben an, nicht freiwillig ohne festen Wohnsitz zu sein und sind mit ihrer Lebenssituation überwiegend unzufrieden. Dennoch sehen sie optimistisch in die Zukunft und glauben, mittelfristig ihre Wohnungs- bzw. Obdachlosigkeit überwinden zu können. Die Daten weisen außerdem darauf hin, dass junge volljährige Menschen ohne festen Wohnsitz vorwiegend mit dem Jobcenter in Kontakt stehen und das Jugendamt nicht mehr als relevantes Hilfesystem in Erscheinung tritt.