bluuebunny/crossref_metadata_2025_split huggingface dataset:
Wildlife:
DNA
Authors: Webster Lucy M.I. 
Published: June 2014

Abstract
Wildlife crimes relate to the illegal exploitation of animals and plants. By their very nature, these crimes involve the exchange of biological material from the exploited species—including their DNA. Analyzing wildlife DNA evidence can be hugely informative, from establishing whether a crime has been committed to tying a suspect to a specific crime scene. A range of different laboratory tests can be applied to answer different investigative questions. For example, the identification of a species using DNA extracted from various parts (e.g., skin, feathers, scales, claws, and leaves) or trace evidence (e.g., blood and saliva) can determine whether the species involved is legally protected, or whether the parts can be traded freely. Likewise, parentage analysis from animal DNA profiles can establish whether records of captive breeding are accurate or whether the nominal offspring may have been taken illegally from wild populations. Illustrated with examples of wildlife crime investigations where forensic DNA analysis of nonhuman samples has been employed, this article outlines the different types of testing available before discussing the potential of new technology and the testing standards required from wildlife DNA forensic laboratories.
Drug Dogs: Limitations and Admissibility of Canine Alerts for Controlled Substances
Authors: Shelton Donald E. 
Published: June 2014

AbstractUntil recently, courts generally allowed the government to rely on trained dog scent responses to provide probable cause for searches, especially in narcotics or explosives cases. The Supreme Court had consistently held that a narcotics dog sniff of a vehicle was not a search. In two recent cases, the Supreme Court affirmed the “not‐a–search” proposition for vehicles but held that a sniff of a home is indeed a search. Further, the Court clarified, and apparently reduced, the amount of evidence the prosecution must produce to establish the reliability of narcotics dog evidence. Some conclusions about the use of trained dogs to detect narcotics emerge. The use of a narcotics dog to detect odors emanating from a home, including a porch or presumably other portions of the curtilage of the home, is itself a search within the meaning of the Fourth Amendment and therefore requires probable cause. The use of a narcotics dog to detect odors emanating from a vehicle, or luggage, or other personal property exposed to the public does not violate a reasonable expectation of privacy and is therefore not a search. Evidence of a dog's training and certification by a training organization presumptively establishes the reliability to ascertain probable cause for a subsequent search. The prosecution is not required as a condition of admissibility to present the dog's field‐performance records.
DNA
Quantitation
Authors: O'Brien Robert I. 
Published: June 2014

Abstract
DNA quantitation, the process by which the quantity of DNA present in a sample is determined, is the first crucial step in the development of a DNA profile. Quantitation allows an analyst to make adjustments before amplification so that the best possible profile is developed. This article provides background on the initial method of quantitation, its deficiencies, and the development of the present quantitation method, real‐time polymerase chain reaction (PCR). The principles of real‐time PCR are presented, along with a discussion of the challenges posed, especially during analysis of samples containing low levels of DNA material. In addition, the various methods employed by commercially available quantitation kits for determining the quantity of DNA available in low‐level samples are discussed.
Cadmium: Inorganic Chemistry
Authors: Borsari Marco 
Published: June 2014

AbstractThis article provides an overview on the inorganic chemistry of cadmium. Cadmium is a bluish‐white metal, the 67th most abundant element in the Earth's crust, and found in some minerals. The structure of the stable form at room temperature (γ form) is hexagonal. Occurrence, production, and applications have been surveyed. CdIIforms relatively few minerals: the most important are two sulfides, greenockite, and hawleyite. CdII, however, gives isomorphous replacement in several Zn minerals. For this reason, sphalerite (ZnS) is the main industrial source of cadmium. The metal is mainly obtained as a by‐product of the metallurgy of Zn. Cadmium and its compounds find applications in several industrial materials: electrode materials in Ni–Cd batteries and solar cells; pigments in ceramics, glasses, paper, plastics, artist colors; coatings on steel, aluminum, and other nonferrous metals; specialized alloys; polymer stabilizers, and in nuclear industry and lab applications.111Cd and113Cd NMR spectroscopy can be used to study complexes, both in solid state and in solution, mostly to investigate the binding site of the metal ion in different metalloproteins. Toxicological and environmental risks are associated with its use. Cadmium compounds are highly toxic, and human exposure to this metal is known to be involved in cancer and other diseases. The targets are the body's cardiovascular, renal, gastrointestinal, neurological, reproductive, and respiratory systems. Cadmium does not seem to play any important role in higher organisms. The usual oxidation state of cadmium is 2+ and its chemistry closely resembles that of zinc and, to a lesser extend, mercury. Few compounds of CdIhave been prepared and identified. CdIIwithin zeolites is easily reduced by exposure to metal vapors to form cationic clusters containing Cd0and CdI. The versatile coordination ability of CdIIallows a wide variety of structures. The main compounds, ordered by metal oxidation state and bound anion, have been examined for their properties and structural aspects, both in solution and in the solid state. Several technologies have been developed to obtain cadmium compounds as nanocrystals or nanostructures. Cadmium glasses can find applications for their nonlinear optical properties.
Copper: Hemocyanin/Tyrosinase Models
Authors: Rolle Clarence J. , Saracini Claudio , Karlin Kenneth D. 
Published: June 2014

Abstract

Copper‐containing enzymes catalyze a wide variety of chemical reactions involving O
2
activation and transport. Among the active sites responsible for these processes, those containing binuclear copper moieties where the copper ions are bridged by a μ–η
2
:η
2
peroxo fragment play a central role in the activity of tyrosinase (Tyr) and catechol oxidase (CatOx) performing
o
‐phenol aromatic hydroxylations and dehydrogenation of
o
‐catechols, respectively. Dicopper centers also perform O
2
transport through the enzyme hemocyanin (Hc) in mollusks and arthropods. A common structural feature of these active sites is a dicopper(II) center having three histidine residues coordinating each of the coppers through their imidazole side chains. Studies on synthetic model compounds greatly improved our understanding of structure, coordination, stability, reactivity, and spectroscopic properties of the active sites present in these enzymes. Several synthetic 2:1 copper:O
2
compounds forming μ–η
2
:η
2
and also bis‐μ‐oxo di copper(III) moieties have been found to be capable of hydroxylating or/and oxidizing external monophenolic substrates performing a chemistry similar to that observed in Tyr and/or CatOx. Hydroxylation of such phenolic substrates proceeds via electrophilic aromatic substitution into the
ortho
‐position of the phenol, whereas different mechanistic pathways have been proposed for the reactivity of CatOx with catechols, such as those involving proton‐coupled electron transfer (PCET) and hydrogen atom transfer (HAT). Recent insights suggest the possibility that bis‐μ‐oxo di copper(III) species may have biological relevance.
Fluorides: Solid‐State Chemistry
Authors: Schlöder Tobias , Kraus Florian , Riedel Sebastian 
Published: June 2014

AbstractInorganic solid fluorides and fluorometalates play a unique role in inorganic chemistry. The preparation, mostly using aqueous or anhydrousHF(aHF) or even elemental F2, requires special conditions: no glass or silicate‐containing vessels can be used. Their structural chemistry is governed by the outsider role of the fluoride anion. It is the smallest and least polarizable anion, and mainly, its ionic compounds follow the rules of hard spheres packing better than any other class of substances. Nearly, all metal ions except those with the largest ionic radii form fluoride structures with octahedral [Mn+F6](6–n) –units. If the metal:fluorine ratio is less than six, these octahedra share common vertices or, in rare cases, edges or even faces to account for electroneutrality, the more the lower the oxidation state of the metal. In this way, a variety of1Dchain,2Dnet, and3Dframework structures are formed, which can be classified into a few large structure families. In binary fluorides, for example, VF5has an octahedralcis‐chain structure, VF4a layer structure based on a square net of corner‐connected octahedra, VF3an ReO3‐related3Dstructure with all corners of octahedra connected, and VF2the rutile‐type structure with partial edge‐sharing of octahedra. In ternary or quaternary compounds, for example, alkali or alkaline earth fluorometalates, the same principles are valid for the anionic substructure while the countercations fill interstices and stabilize at the same time the structure. The main structure families are grouped according to the basic principles of octahedral nets. These are the ReO3‐related trifluorides, the fluoride perovskites AMF3, their relatives elpasolites A2A′ MF6, and cryolites A3MF6, as well as some layer structures with square nets. A second large family is based on mixed octahedral nets including triple units: it includes, for example, the pyrochlores, the weberites, the hexagonal and tetragonal tungsten bronze structures, and some derivable layer structures. Recent developments deal with “tailoring” of low dimensional or framework structures using “soft‐chemistry” methods. The relatively simple structural chemistry of fluorides invoked their use as model systems, for instance, for the investigation of electronic effects such as Jahn–Teller ordering or for magnetic investigations. Besides the cryolite Na3AlF6used in Al production, some fluorides are of technical interest owing to their special optical properties (e.g., laser optics and fluoride glasses), their ability for fluoride ion conductivity, or their role as catalysts for fluorinations or halogen exchange in organic systems.
Nutritional Aspects of Metals and Trace Elements
Authors: Yokoi Katsuhiko 
Published: June 2014

AbstractThe essential inorganic nutrients are dietary components that exert nutritional function when they are consumed as inorganic substances. Some essential inorganic nutrients such as selenium and iodine act as organic active constituents after metabolic conversion in vivo when they are consumed as organic and inorganic substances. Inadequate intake of essential inorganic nutrients results in deficiency diseases and/or interruption of life cycles. The essential inorganic nutrients consist of the major elements (sodium, potassium, calcium, magnesium, chlorine, phosphorus, and sulfur) and the trace elements (iron, copper, zinc, manganese, cobalt, chromium, molybdenum, vanadium, nickel, arsenic, selenium, iodine, fluorine, silicon, boron, tin, cadmium, lead, rubidium, and lithium). Evidence of essentiality is limited for arsenic, boron, cadmium, fluorine, lead, lithium, nickel, rubidium, silicon, tin, and vanadium. If the requirement is <1 mg day−1for humans or 1 mg kg−1diet for animals, the inorganic nutrients are calledultratrace elements. Further investigation may increase the number of essential inorganic nutrients. Deficiencies of inorganic nutrients such as iodine, iron, and zinc occur worldwide. To prevent deficiencies and toxicosis, the United States and other nations have established the dietary reference intakes or the equivalents that are composed of reference values including estimated average requirements, recommended dietary allowances, adequate intakes, and tolerable upper intake levels. Essential inorganic nutrients function in vivo through various modalities such as catalytic centers of enzymes, metabolic regulation, modulation of ion channels and receptors. The regulation and control of inorganic nutrients are a function of eight parameters: availability, solubility, permeability, ligand exchange, transport, assimilation, storage, and excretion. Excessive intakes, genetic abnormalities, and other etiologies cause pathologies of metal overload. Functions of selenium, nickel, and chromium were reviewed. Selenium manifests antioxidant activity as an active site of glutathione peroxidase. Other important selenium‐containing proteins include thioredoxin reductase, iodothyronine deiodinases, and selenoprotein P. Nickel occupies the metal centers of urease, carbon monoxide dehydrogenase, and other enzymes. Nickel deprivation results in impaired reproduction (rats and goats) and decreased spermatozoa motility and density (rats). In six clinical cases, prolonged total parenteral nutrition low in chromium caused glucose intolerance and/or neuropathy reversed by chromium supplementation. It is our challenge to determine optimal intakes of inorganic nutrients for ensuring optimal health for all.
Metal Coordination ofCO2
Authors: Mascetti Joëlle 
Published: June 2014

AbstractEven though carbon dioxide is used in a great number of industrial applications, it remains a molecule with low reactivity. Its activation by coordination to metal complexes is used in both stoichiometric and catalytic reactions. This article describes the different kinds of metal carbon dioxide complexes observed in the gas phase, in cryogenic solids, and in solution, and briefly presents the reactivity of coordinated CO2toward electrophiles and nucleophiles.
Entire Respiratory Complex
I
from
Thermus Thermophilus
Authors: Berrisford John M , Baradaran Rozbeh , Sazanov Leonid A 
Published: June 2014

Abstract

Complex I (
NADH
:ubiquinone oxidoreductase) plays a central role in cellular energy production, coupling electron transfer between
NADH
and quinone to proton translocation. It is the largest protein assembly of bacterial and mitochondrial respiratory chains, and bacterial enzyme provides its important ‘minimal’ model. Dysfunction of mitochondrial complex I is implicated in many human neurodegenerative diseases. It is also a major source of reactive oxygen species (
ROS
), which may be one of the causes of Parkinson's disease and aging. The L‐shaped complex consists of a hydrophilic arm, where electron transfer occurs, and a membrane arm, where proton translocation takes place. Previously, we had solved the crystal structures of the hydrophilic domain of complex I from
Thermus thermophilus
and of the membrane domain from
Escherichia coli
. Recently, we determined the atomic structure of the intact entire complex I from
T. thermophilus
(536 kDa, 16 subunits, 9 iron–sulfur (Fe‐S) clusters, 64 transmembrane helices). The 95 Å long electron transfer pathway through the enzyme proceeds from the primary electron acceptor flavin mononucleotide, through seven conserved Fe‐S clusters, to the unusually elongated quinone‐binding site at the interface with the membrane domain. Four putative proton translocation channels are found in the membrane domain, all linked by the central flexible axis containing charged residues. The redox energy of electron transfer is coupled to proton translocation by the mechanism proposed to involve long‐range conformational changes.
A Prokaryotic (6‐4) Photolyase with a
DMRL
Chromophore and an Iron–Sulfur Cluster
Authors: Lamparter Tilman , Zhang Fan , Graf Dominik , Wesslowski Janine , Oberpichler Inga , Schünemann Volker , Krauß Norbert , Scheerer Patrick 
Published: June 2014

Abstract

Photolyases are flavoproteins that repair
UV
‐damaged
DNA
using the energy of sunlight. The flavin adenine dinucleotide (
FAD
) chromophores of photolyases and the related cryptochromes are bound to the chromophore pocket in a U‐shaped conformation. Often, a second cofactor serves as antenna chromophore in photolyases. This can be methenyltetrahydrofolate (
MTHF
), 8‐hydroxy‐7,8‐didemethyl‐5‐deazariboflavin (8‐
HDF
),
FAD,
or flavin mononucleotide (
FMN
). Two kinds of
DNA
lesions are produced by
UV
light, cyclobutan‐pyrimidine dimers (
CPDs
) or (6‐4) photoproducts. These lesions are repaired by two different types of photolyases, namely the
CPDs
and (6‐4) photolyases.

Recently, a new phylogenetic group of the photolyase cryptochrome family termed
iron–sulfur bacterial cryptochromes/photolyases
(FeS‐BCP) was discovered. Two members of this group, CryB from
Rhodobacter sphaeroides
and ‘photolyase related protein’ (PhrB) from
Agrobacterium tumefaciens
, carry a new antenna chromophore, 6,7‐dimethyl 8‐ ribityl‐lumazin (
DMRL
), and incorporate an 4Fe‐4S cluster. PhrB acts as a (6‐4) photolyase with a repair activity that is higher for double‐stranded than for single‐stranded
DNA
. There are presently more than 900 prokaryotic PhrB homologs in the database in which the characteristic cysteine residues for incorporation of the Fe‐S cluster and other key amino acids are conserved. This new group of (6‐4) photolyases with an Fe‐S cluster is thus widely distributed among prokaryotes. Unlike in other photolyases, the loop connecting the N‐terminal and the C‐terminal domains of PhrB interacts with the
DNA
lesion. A C‐terminal extension, which could have a regulatory function, interacts with the
DNA
. The comparison between PhrB and eukaryotic (6‐4) photolyases highlights a conserved His residue which is located next to the
DNA
lesion. This residue serves probably as proton donor/acceptor during the repair cycle.
Dye‐Decolorizing Peroxidase (
DyP
)
Authors: Strittmatter Eric , Plattner Dietmar A , Piontek Klaus 
Published: June 2014

Abstract

The fairly recently discovered dye‐decolorizing peroxidases (DyPs) form a distant lineage within the large group of heme peroxidases. DyPs catalyze,
inter alia
, the degradation of complex anthraquinone dyes. Their structure is predominantly helical with a prominent β‐sheet fold, a motif with no equivalent in other heme peroxidases. Lately, intensified research has revealed that the DyP superfamily is widespread in microorganisms and a lot more multifaceted with regard to function than previously imagined. This overview gives an up‐to‐date account on DyP‐type peroxidases and their known biological, chemical, and structural features.
Aza‐[4+3] and Aza‐[3+2] Annulations for Synthesis of Dihydroazepines and Dihydropyrroles from Alkynes, Sulfonyl Azides, and 1,3‐Dienes
Authors: Kim Sanghyuck , Mo Juntae , Kim Jaeeun , Ryu Taekyu , Lee Phil Ho 
Published: June 2014

AbstractWe report aza‐[4+3] annulation through sequential [3+2]‐[2+1] cycloadditions‐aza‐Cope rearrangement for the synthesis of dihydroazepines. Aza‐[3+2] annulation was achieved through [3+2]‐[2+1]‐aza‐Cope rearrangement‐1,3‐migration or [3+2]‐[2+1]‐Clock rearrangement, leading to the formation of dihydropyrroles. In addition, dihydroazepines thermally 1,3‐migrated to give dihydropyrroles. This method affords a straightforward synthetic pathway from simple triazoles to produce dihydroazepines and dihydropyrroles together with N2 as the single byproduct. This procedure can be successfully applied to a one‐pot process starting from terminal alkynes, azides, and dienes.
C9orf72 and UNC13A are shared risk loci for amyotrophic lateral sclerosis and frontotemporal dementia: A genome‐wide meta‐analysis
Authors: Diekstra Frank P. , Van Deerlin Vivianna M. , van Swieten John C. , Al‐Chalabi Ammar , Ludolph Albert C. , Weishaupt Jochen H. , Hardiman Orla , Landers John E. , Brown Robert H. , van Es Michael A. , Pasterkamp R. Jeroen , Koppers Max , Andersen Peter M. , Estrada Karol , Rivadeneira Fernando , Hofman Albert , Uitterlinden André G. , van Damme Philip , Melki Judith , Meininger Vincent , Shatunov Aleksey , Shaw Christopher E. , Leigh P. Nigel , Shaw Pamela J. , Morrison Karen E. , Fogh Isabella , Chiò Adriano , Traynor Bryan J. , Czell David , Weber Markus , Heutink Peter , de Bakker Paul I. W. , Silani Vincenzo , Robberecht Wim , van den Berg Leonard H. , Veldink Jan H. 
Published: June 2014

ObjectiveSubstantial clinical, pathological, and genetic overlap exists between amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). TDP‐43 inclusions have been found in both ALS and FTD cases (FTD‐TDP). Recently, a repeat expansion in C9orf72 was identified as the causal variant in a proportion of ALS and FTD cases. We sought to identify additional evidence for a common genetic basis for the spectrum of ALS‐FTD.MethodsWe used published genome‐wide association studies data for 4,377 ALS patients and 13,017 controls, and 435 pathology‐proven FTD‐TDP cases and 1,414 controls for genotype imputation. Data were analyzed in a joint meta‐analysis, by replicating topmost associated hits of one disease in the other, and by using a conservative rank products analysis, allocating equal weight to ALS and FTD‐TDP sample sizes.ResultsMeta‐analysis identified 19 genome‐wide significant single nucleotide polymorphisms (SNPs) in C9orf72 on chromosome 9p21.2 (lowest p = 2.6 × 10−12) and 1 SNP in UNC13A on chromosome 19p13.11 (p = 1.0 × 10−11) as shared susceptibility loci for ALS and FTD‐TDP. Conditioning on the 9p21.2 genotype increased statistical significance at UNC13A. A third signal, on chromosome 8q24.13 at the SPG8 locus coding for strumpellin (p = 3.91 × 10−7) was replicated in an independent cohort of 4,056 ALS patients and 3,958 controls (p = 0.026; combined analysis p = 1.01 × 10−7).InterpretationWe identified common genetic variants in C9orf72, but in addition in UNC13A that are shared between ALS and FTD. UNC13A provides a novel link between ALS and FTD‐TDP, and identifies changes in neurotransmitter release and synaptic function as a converging mechanism in the pathogenesis of ALS and FTD‐TDP. Ann Neurol 2014;76:120–133
Heterogeneously Porous γ‐MnO2‐Catalyzed Direct Oxidative Amination of Benzoxazole through CH Activation in the Presence of O2
Authors: Pal Provas , Giri Arnab Kanti , Singh Harshvardhan , Ghosh Subhash Chandra , Panda Asit Baran 
Published: June 2014

AbstractOxidative amination of azoles through catalytic CH bond activation is a very important reaction due to the presence of 2‐aminoazoles in several biologically active compounds. However, most of the reported methods are performed under homogeneous reaction conditions using excess reagents and additives. Herein, we report the heterogeneous, porous γ‐MnO2‐catalyzed direct amination of benzoxazole with wide range of primary and secondary amines. The amination was carried under mild reaction conditions and using molecular oxygen as a green oxidant, without any additives. The catalyst can easily be separated by filtration and reused several times without a significant loss of its catalytic performance. Of note, the reaction tolerates a functional group such as alcohol, thus indicating the broad applicability of this reaction.